3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide

C31H35ClN6O5S — CID 25019097

IUPAC3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(-c4cccc(C(=O)NCc5ncco5)c4)c3)nn2CCCN2CCC(O)C2)C1
InChIInChI=1S/C31H35ClN6O5S/c1-44(41,42)37-14-9-28-26(20-37)30(35-38(28)12-3-11-36-13-8-24(39)19-36)22-6-7-27(32)25(17-22)21-4-2-5-23(16-21)31(40)34-18-29-33-10-15-43-29/h2,4-7,10,15-17,24,39H,3,8-9,11-14,18-20H2,1H3,(H,34,40)
InChIKeyYWFOOFNUJUBZAF-UHFFFAOYSA-N
MW639.18 g/mol
LogP3.56
Rot. Bonds10

About 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide

3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide (PubChem CID 25019097) has the molecular formula C31H35ClN6O5S and a molecular weight of 639.18 g/mol. Its IUPAC name is 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide
PubChem CID25019097
Molecular FormulaC31H35ClN6O5S
Molecular Weight639.18 g/mol
Exact Mass638.21
IUPAC Name3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(-c4cccc(C(=O)NCc5ncco5)c4)c3)nn2CCCN2CCC(O)C2)C1
InChIInChI=1S/C31H35ClN6O5S/c1-44(41,42)37-14-9-28-26(20-37)30(35-38(28)12-3-11-36-13-8-24(39)19-36)22-6-7-27(32)25(17-22)21-4-2-5-23(16-21)31(40)34-18-29-33-10-15-43-29/h2,4-7,10,15-17,24,39H,3,8-9,11-14,18-20H2,1H3,(H,34,40)
InChIKeyYWFOOFNUJUBZAF-UHFFFAOYSA-N
XLogP3.56
TPSA133.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.18
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide 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 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide?
The IUPAC name of 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide (CID 25019097) is 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide?
The canonical SMILES for 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide is CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(-c4cccc(C(=O)NCc5ncco5)c4)c3)nn2CCCN2CCC(O)C2)C1.
What is the InChIKey of 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide?
The InChIKey is YWFOOFNUJUBZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN6O5S/c1-44(41,42)37-14-9-28-26(20-37)30(35-38(28)12-3-11-36-13-8-24(39)19-36)22-6-7-27(32)25(17-22)21-4-2-5-23(16-21)31(40)34-18-29-33-10-15-43-29/h2,4-7,10,15-17,24,39H,3,8-9,11-14,18-20H2,1H3,(H,34,40).
What are the key properties of 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide?
3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide has a molecular weight of 639.18 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-[1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-N-(1,3-oxazol-2-ylmethyl)benzamide is sourced from PubChem (CID 25019097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).