1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea

C87H102F6N20O4 — CID 159538796

IUPAC1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
SMILESCN1CCN(Cc2cc(NC(=O)Nc3ccc(-c4cc(C(C)(C)C)nc5c4cnn5C)cc3)cc(C(F)(F)F)c2)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cc(C(C)(C)C)nc5c4cnn5C)cc3)cc2C(F)(F)F)CC1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)cc(C(C)(C)C)nc21
InChIInChI=1S/2C31H36F3N7O.C25H30N6O2/c1-30(2,3)27-17-24(25-18-35-40(5)28(25)38-27)20-6-9-22(10-7-20)36-29(42)37-23-11-8-21(26(16-23)31(32,33)34)19-41-14-12-39(4)13-15-41;1-30(2,3)27-17-25(26-18-35-40(5)28(26)38-27)21-6-8-23(9-7-21)36-29(42)37-24-15-20(14-22(16-24)31(32,33)34)19-41-12-10-39(4)11-13-41;1-24(2,3)19-12-17(18-14-26-31(7)22(18)28-19)15-8-10-16(11-9-15)27-23(32)29-21-13-20(33-30-21)25(4,5)6/h6-11,16-18H,12-15,19H2,1-5H3,(H2,36,37,42);6-9,14-18H,10-13,19H2,1-5H3,(H2,36,37,42);8-14H,1-7H3,(H2,27,29,30,32)
InChIKeyMDXVTWKGKKUJTF-UHFFFAOYSA-N
MW1605.90 g/mol
LogP18.55
Rot. Bonds13

About 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea

1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea (PubChem CID 159538796) has the molecular formula C87H102F6N20O4 and a molecular weight of 1605.90 g/mol. Its IUPAC name is 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
PubChem CID159538796
Molecular FormulaC87H102F6N20O4
Molecular Weight1605.90 g/mol
Exact Mass1604.83
IUPAC Name1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
SMILESCN1CCN(Cc2cc(NC(=O)Nc3ccc(-c4cc(C(C)(C)C)nc5c4cnn5C)cc3)cc(C(F)(F)F)c2)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cc(C(C)(C)C)nc5c4cnn5C)cc3)cc2C(F)(F)F)CC1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)cc(C(C)(C)C)nc21
InChIInChI=1S/2C31H36F3N7O.C25H30N6O2/c1-30(2,3)27-17-24(25-18-35-40(5)28(25)38-27)20-6-9-22(10-7-20)36-29(42)37-23-11-8-21(26(16-23)31(32,33)34)19-41-14-12-39(4)13-15-41;1-30(2,3)27-17-25(26-18-35-40(5)28(26)38-27)21-6-8-23(9-7-21)36-29(42)37-24-15-20(14-22(16-24)31(32,33)34)19-41-12-10-39(4)11-13-41;1-24(2,3)19-12-17(18-14-26-31(7)22(18)28-19)15-8-10-16(11-9-15)27-23(32)29-21-13-20(33-30-21)25(4,5)6/h6-11,16-18H,12-15,19H2,1-5H3,(H2,36,37,42);6-9,14-18H,10-13,19H2,1-5H3,(H2,36,37,42);8-14H,1-7H3,(H2,27,29,30,32)
InChIKeyMDXVTWKGKKUJTF-UHFFFAOYSA-N
XLogP18.55
TPSA254.51 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001605.90
LogP ≤ 518.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

3-[2-[8-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 118669265
3-[2-[8-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 157281490
2-[4-(5-benzylpyrazin-2-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-(6-benzyl-3-pyridinyl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
CID 157688271
N-[6-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3-pyridinyl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine
CID 157975905
N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine
CID 159012191
N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine
CID 159611395
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 160592398
N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;(E)-1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone
CID 161561209
5-tert-butyl-N-[3-[2-[8-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]-4-methylphenyl]-1,2-oxazole-3-carboxamide;N-[3-[2-[8-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;bis(N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)benzamide)
CID 161751406
1-[4-[4-amino-1-[(3R)-1-[(Z)-2-isocyano-4,4-dimethylpent-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;N-[4-[4-amino-1-[(3R)-1-[(Z)-2-isocyano-4,4-dimethylpent-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-[4-amino-1-[(3R)-1-[(Z)-2-isocyano-4,4-dimethylpent-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 161876335
1-[4-[4-amino-1-[(3R)-1-[(Z)-2-isocyano-4,4-dimethylpent-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-cyclopropylurea;1-[4-[4-amino-1-[(3R)-1-[(Z)-2-isocyano-4,4-dimethylpent-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 158865900
1-[4-[4-Amino-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]boronic acid;3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-methyl-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methylpiperidin-4-one
CID 161541555

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea (CID 159538796) is 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea is CN1CCN(Cc2cc(NC(=O)Nc3ccc(-c4cc(C(C)(C)C)nc5c4cnn5C)cc3)cc(C(F)(F)F)c2)CC1.CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cc(C(C)(C)C)nc5c4cnn5C)cc3)cc2C(F)(F)F)CC1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)cc(C(C)(C)C)nc21.
What is the InChIKey of 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
The InChIKey is MDXVTWKGKKUJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H36F3N7O.C25H30N6O2/c1-30(2,3)27-17-24(25-18-35-40(5)28(25)38-27)20-6-9-22(10-7-20)36-29(42)37-23-11-8-21(26(16-23)31(32,33)34)19-41-14-12-39(4)13-15-41;1-30(2,3)27-17-25(26-18-35-40(5)28(26)38-27)21-6-8-23(9-7-21)36-29(42)37-24-15-20(14-22(16-24)31(32,33)34)19-41-12-10-39(4)11-13-41;1-24(2,3)19-12-17(18-14-26-31(7)22(18)28-19)15-8-10-16(11-9-15)27-23(32)29-21-13-20(33-30-21)25(4,5)6/h6-11,16-18H,12-15,19H2,1-5H3,(H2,36,37,42);6-9,14-18H,10-13,19H2,1-5H3,(H2,36,37,42);8-14H,1-7H3,(H2,27,29,30,32).
What are the key properties of 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea has a molecular weight of 1605.90 g/mol, XLogP of 18.55, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159538796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).