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

C32H36ClN9O2 — CID 134436147

IUPAC2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCNCC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)
InChIKeyMHCCJVBFENHNST-UHFFFAOYSA-N
MW614.15 g/mol
LogP3.70
Rot. Bonds8

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

2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (PubChem CID 134436147) has the molecular formula C32H36ClN9O2 and a molecular weight of 614.15 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
PubChem CID134436147
Molecular FormulaC32H36ClN9O2
Molecular Weight614.15 g/mol
Exact Mass613.27
IUPAC Name2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCNCC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43)
InChIKeyMHCCJVBFENHNST-UHFFFAOYSA-N
XLogP3.70
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.15
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide?
The IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (CID 134436147) is 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide?
The canonical SMILES for 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCNCC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide?
The InChIKey is MHCCJVBFENHNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN9O2/c1-22-4-3-5-26(33)29(22)31(43)39-32(2)6-10-41(11-7-32)28-20-36-27(19-37-28)25-16-24(21-42-30(25)23(17-34)18-38-42)44-15-14-40-12-8-35-9-13-40/h3-5,16,18-21,35H,6-15H2,1-2H3,(H,39,43).
What are the key properties of 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide?
2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide has a molecular weight of 614.15 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is sourced from PubChem (CID 134436147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).