N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide

C93H100BrN27O5 — CID 159025282

IUPACN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide
SMILESCc1ccc(-c2nn(C(C)(C)CNC(=O)CCOc3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(Br)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(C)n3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(C)n3)c3ncnc(N)c23)cc1
InChIInChI=1S/C25H28N6O2.2C23H25N7O.C22H22BrN7O/c1-17-9-11-18(12-10-17)22-21-23(26)28-16-29-24(21)31(30-22)25(2,3)15-27-20(32)13-14-33-19-7-5-4-6-8-19;2*1-14-8-10-16(11-9-14)19-18-20(24)26-13-27-21(18)30(29-19)23(3,4)12-25-22(31)17-7-5-6-15(2)28-17;1-13-4-6-14(7-5-13)18-17-19(24)27-12-28-20(17)30(29-18)22(2,3)11-26-21(31)16-10-15(23)8-9-25-16/h4-12,16H,13-15H2,1-3H3,(H,27,32)(H2,26,28,29);2*5-11,13H,12H2,1-4H3,(H,25,31)(H2,24,26,27);4-10,12H,11H2,1-3H3,(H,26,31)(H2,24,27,28)
InChIKeyJUEZMVZATRPEAJ-UHFFFAOYSA-N
MW1755.91 g/mol
LogP13.92
Rot. Bonds23

About N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide (PubChem CID 159025282) has the molecular formula C93H100BrN27O5 and a molecular weight of 1755.91 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide
PubChem CID159025282
Molecular FormulaC93H100BrN27O5
Molecular Weight1755.91 g/mol
Exact Mass1753.76
IUPAC NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide
SMILESCc1ccc(-c2nn(C(C)(C)CNC(=O)CCOc3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(Br)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(C)n3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(C)n3)c3ncnc(N)c23)cc1
InChIInChI=1S/C25H28N6O2.2C23H25N7O.C22H22BrN7O/c1-17-9-11-18(12-10-17)22-21-23(26)28-16-29-24(21)31(30-22)25(2,3)15-27-20(32)13-14-33-19-7-5-4-6-8-19;2*1-14-8-10-16(11-9-14)19-18-20(24)26-13-27-21(18)30(29-19)23(3,4)12-25-22(31)17-7-5-6-15(2)28-17;1-13-4-6-14(7-5-13)18-17-19(24)27-12-28-20(17)30(29-18)22(2,3)11-26-21(31)16-10-15(23)8-9-25-16/h4-12,16H,13-15H2,1-3H3,(H,27,32)(H2,26,28,29);2*5-11,13H,12H2,1-4H3,(H,25,31)(H2,24,26,27);4-10,12H,11H2,1-3H3,(H,26,31)(H2,24,27,28)
InChIKeyJUEZMVZATRPEAJ-UHFFFAOYSA-N
XLogP13.92
TPSA442.78 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001755.91
LogP ≤ 513.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide with MolForge

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Related Compounds

4-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate
CID 158048325
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide
CID 158186786
CID 159126676
CID 159126676
4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde
CID 159954504
3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 160501841
2-[4-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-amino-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine;3-bromo-7H-pyrrolo[3,4-b]pyridin-5-amine
CID 160802014
CID 160965532
CID 160965532
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-methylbenzamide
CID 161075578
2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;methane;3-methyl-4-phenylmethoxy-2-[6-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;3-(trifluoromethyl)piperidine
CID 167569389
2-N-[[3-[3-[[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-4-methoxyphenyl]methyl]-6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pyridine-2,6-dicarboxamide
CID 68913257
2-N-[[3-[3-[[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-4-methoxyphenyl]methyl]-6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pyridine-2,6-dicarboxamide
CID 68913258
1-N-[[5-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-2-methoxyphenyl]methyl]-3-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,3-dicarboxamide;3-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-1-N-[[5-(3-formylphenyl)-2-methoxyphenyl]methyl]benzene-1,3-dicarboxamide
CID 87234908

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide (CID 159025282) is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide is Cc1ccc(-c2nn(C(C)(C)CNC(=O)CCOc3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(Br)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(C)n3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(C)n3)c3ncnc(N)c23)cc1.
What is the InChIKey of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide?
The InChIKey is JUEZMVZATRPEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.2C23H25N7O.C22H22BrN7O/c1-17-9-11-18(12-10-17)22-21-23(26)28-16-29-24(21)31(30-22)25(2,3)15-27-20(32)13-14-33-19-7-5-4-6-8-19;2*1-14-8-10-16(11-9-14)19-18-20(24)26-13-27-21(18)30(29-19)23(3,4)12-25-22(31)17-7-5-6-15(2)28-17;1-13-4-6-14(7-5-13)18-17-19(24)27-12-28-20(17)30(29-18)22(2,3)11-26-21(31)16-10-15(23)8-9-25-16/h4-12,16H,13-15H2,1-3H3,(H,27,32)(H2,26,28,29);2*5-11,13H,12H2,1-4H3,(H,25,31)(H2,24,26,27);4-10,12H,11H2,1-3H3,(H,26,31)(H2,24,27,28).
What are the key properties of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide?
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide has a molecular weight of 1755.91 g/mol, XLogP of 13.92, 23 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-bromopyridine-2-carboxamide;bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-phenoxypropanamide is sourced from PubChem (CID 159025282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).