2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide

C32H35ClN8O3 — CID 134435700

IUPAC2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)nc2)CC1
InChIInChI=1S/C32H35ClN8O3/c1-22-4-3-5-27(33)28(22)31(42)38-32(2)6-8-40(9-7-32)24-19-35-30(36-20-24)26-16-25(21-41-29(26)23(17-34)18-37-41)44-15-12-39-10-13-43-14-11-39/h3-5,16,18-21H,6-15H2,1-2H3,(H,38,42)
InChIKeyXEFASIDUVBYOMH-UHFFFAOYSA-N
MW615.14 g/mol
LogP4.12
Rot. Bonds8

About 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide

2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (PubChem CID 134435700) has the molecular formula C32H35ClN8O3 and a molecular weight of 615.14 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
PubChem CID134435700
Molecular FormulaC32H35ClN8O3
Molecular Weight615.14 g/mol
Exact Mass614.25
IUPAC Name2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)nc2)CC1
InChIInChI=1S/C32H35ClN8O3/c1-22-4-3-5-27(33)28(22)31(42)38-32(2)6-8-40(9-7-32)24-19-35-30(36-20-24)26-16-25(21-41-29(26)23(17-34)18-37-41)44-15-12-39-10-13-43-14-11-39/h3-5,16,18-21H,6-15H2,1-2H3,(H,38,42)
InChIKeyXEFASIDUVBYOMH-UHFFFAOYSA-N
XLogP4.12
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.14
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide 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 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide?
The IUPAC name of 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (CID 134435700) is 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide?
The canonical SMILES for 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)nc2)CC1.
What is the InChIKey of 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide?
The InChIKey is XEFASIDUVBYOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN8O3/c1-22-4-3-5-27(33)28(22)31(42)38-32(2)6-8-40(9-7-32)24-19-35-30(36-20-24)26-16-25(21-41-29(26)23(17-34)18-37-41)44-15-12-39-10-13-43-14-11-39/h3-5,16,18-21H,6-15H2,1-2H3,(H,38,42).
What are the key properties of 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide?
2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide has a molecular weight of 615.14 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is sourced from PubChem (CID 134435700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).