1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C29H28F3N7O2 — CID 24889278

IUPAC1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3(C(=O)N4CCCC4)CC3)nc21
InChIInChI=1S/C29H28F3N7O2/c1-38-25-23(24(33)37-38)21(16-22(36-25)28(11-12-28)26(40)39-13-2-3-14-39)17-7-9-19(10-8-17)34-27(41)35-20-6-4-5-18(15-20)29(30,31)32/h4-10,15-16H,2-3,11-14H2,1H3,(H2,33,37)(H2,34,35,41)
InChIKeyZRIZJMSPNYVQFV-UHFFFAOYSA-N
MW563.58 g/mol
LogP5.53
Rot. Bonds5

About 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 24889278) has the molecular formula C29H28F3N7O2 and a molecular weight of 563.58 g/mol. Its IUPAC name is 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID24889278
Molecular FormulaC29H28F3N7O2
Molecular Weight563.58 g/mol
Exact Mass563.23
IUPAC Name1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3(C(=O)N4CCCC4)CC3)nc21
InChIInChI=1S/C29H28F3N7O2/c1-38-25-23(24(33)37-38)21(16-22(36-25)28(11-12-28)26(40)39-13-2-3-14-39)17-7-9-19(10-8-17)34-27(41)35-20-6-4-5-18(15-20)29(30,31)32/h4-10,15-16H,2-3,11-14H2,1H3,(H2,33,37)(H2,34,35,41)
InChIKeyZRIZJMSPNYVQFV-UHFFFAOYSA-N
XLogP5.53
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.58
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 24889278) is 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3(C(=O)N4CCCC4)CC3)nc21.
What is the InChIKey of 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is ZRIZJMSPNYVQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N7O2/c1-38-25-23(24(33)37-38)21(16-22(36-25)28(11-12-28)26(40)39-13-2-3-14-39)17-7-9-19(10-8-17)34-27(41)35-20-6-4-5-18(15-20)29(30,31)32/h4-10,15-16H,2-3,11-14H2,1H3,(H2,33,37)(H2,34,35,41).
What are the key properties of 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 563.58 g/mol, XLogP of 5.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 24889278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).