1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea

C31H33N7O4 — CID 163377536

IUPAC1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cc3c(cn2)c(C2CC(C#N)C2)nn3-c2cc(C)cc([C@]3(OC)CCOC3)n2)cc1
InChIInChI=1S/C31H33N7O4/c1-19-10-26(31(41-3)8-9-42-18-31)35-28(11-19)38-25-14-27(33-17-24(25)29(37-38)22-12-21(13-22)15-32)36-30(39)34-16-20-4-6-23(40-2)7-5-20/h4-7,10-11,14,17,21-22H,8-9,12-13,16,18H2,1-3H3,(H2,33,34,36,39)/t21?,22?,31-/m0/s1
InChIKeyNUTTXKJVKPMZRF-WIYCPNCKSA-N
MW567.65 g/mol
LogP4.73
Rot. Bonds8

About 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea

1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 163377536) has the molecular formula C31H33N7O4 and a molecular weight of 567.65 g/mol. Its IUPAC name is 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID163377536
Molecular FormulaC31H33N7O4
Molecular Weight567.65 g/mol
Exact Mass567.26
IUPAC Name1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cc3c(cn2)c(C2CC(C#N)C2)nn3-c2cc(C)cc([C@]3(OC)CCOC3)n2)cc1
InChIInChI=1S/C31H33N7O4/c1-19-10-26(31(41-3)8-9-42-18-31)35-28(11-19)38-25-14-27(33-17-24(25)29(37-38)22-12-21(13-22)15-32)36-30(39)34-16-20-4-6-23(40-2)7-5-20/h4-7,10-11,14,17,21-22H,8-9,12-13,16,18H2,1-3H3,(H2,33,34,36,39)/t21?,22?,31-/m0/s1
InChIKeyNUTTXKJVKPMZRF-WIYCPNCKSA-N
XLogP4.73
TPSA136.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.65
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]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-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea (CID 163377536) is 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2cc3c(cn2)c(C2CC(C#N)C2)nn3-c2cc(C)cc([C@]3(OC)CCOC3)n2)cc1.
What is the InChIKey of 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is NUTTXKJVKPMZRF-WIYCPNCKSA-N. The full InChI is InChI=1S/C31H33N7O4/c1-19-10-26(31(41-3)8-9-42-18-31)35-28(11-19)38-25-14-27(33-17-24(25)29(37-38)22-12-21(13-22)15-32)36-30(39)34-16-20-4-6-23(40-2)7-5-20/h4-7,10-11,14,17,21-22H,8-9,12-13,16,18H2,1-3H3,(H2,33,34,36,39)/t21?,22?,31-/m0/s1.
What are the key properties of 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea?
1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 567.65 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyanocyclobutyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 163377536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).