1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C30H31F3N6O2 — CID 143593517

IUPAC1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1nn(CCN2CCOCC2)c2nc(C3CC3)cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12
InChIInChI=1S/C30H31F3N6O2/c1-19-27-25(18-26(21-5-6-21)36-28(27)39(37-19)12-11-38-13-15-41-16-14-38)20-7-9-23(10-8-20)34-29(40)35-24-4-2-3-22(17-24)30(31,32)33/h2-4,7-10,17-18,21H,5-6,11-16H2,1H3,(H2,34,35,40)
InChIKeyCWECSBQRSQLBMB-UHFFFAOYSA-N
MW564.61 g/mol
LogP6.28
Rot. Bonds7

About 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 143593517) has the molecular formula C30H31F3N6O2 and a molecular weight of 564.61 g/mol. Its IUPAC name is 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID143593517
Molecular FormulaC30H31F3N6O2
Molecular Weight564.61 g/mol
Exact Mass564.25
IUPAC Name1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1nn(CCN2CCOCC2)c2nc(C3CC3)cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12
InChIInChI=1S/C30H31F3N6O2/c1-19-27-25(18-26(21-5-6-21)36-28(27)39(37-19)12-11-38-13-15-41-16-14-38)20-7-9-23(10-8-20)34-29(40)35-24-4-2-3-22(17-24)30(31,32)33/h2-4,7-10,17-18,21H,5-6,11-16H2,1H3,(H2,34,35,40)
InChIKeyCWECSBQRSQLBMB-UHFFFAOYSA-N
XLogP6.28
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.61
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

N-(3-((4-Amino-1-cyclopentyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenyl)-N'-(3-(trifluoromethyl)phenyl)urea
CID 25011744
1-{4-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]phenyl}-3-[3-(Trifluoromethyl)phenyl]urea
CID 25011745
1-(2-fluoroethyl)-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606131
1-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea
CID 44606133
1-methyl-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606304
3-[(3-Fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426224
2-methyl-3-N-[2-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 121426227
1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea
CID 132585195
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665671
5,7-dimethyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2489078
Isobutyl4-(7-amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenylcarbamate
CID 24762205

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 143593517) is 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1nn(CCN2CCOCC2)c2nc(C3CC3)cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12.
What is the InChIKey of 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is CWECSBQRSQLBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6O2/c1-19-27-25(18-26(21-5-6-21)36-28(27)39(37-19)12-11-38-13-15-41-16-14-38)20-7-9-23(10-8-20)34-29(40)35-24-4-2-3-22(17-24)30(31,32)33/h2-4,7-10,17-18,21H,5-6,11-16H2,1H3,(H2,34,35,40).
What are the key properties of 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 564.61 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 143593517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).