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

C30H32ClN9O3 — CID 134435579

IUPAC3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2cnc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C30H32ClN9O3/c1-30(37-29(41)27-24(31)3-2-6-33-27)4-7-39(8-5-30)26-19-34-25(18-35-26)23-15-22(20-40-28(23)21(16-32)17-36-40)43-14-11-38-9-12-42-13-10-38/h2-3,6,15,17-20H,4-5,7-14H2,1H3,(H,37,41)
InChIKeyFONKHTUVHCQPST-UHFFFAOYSA-N
MW602.10 g/mol
LogP3.21
Rot. Bonds8

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

3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134435579) has the molecular formula C30H32ClN9O3 and a molecular weight of 602.10 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
PubChem CID134435579
Molecular FormulaC30H32ClN9O3
Molecular Weight602.10 g/mol
Exact Mass601.23
IUPAC Name3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2cnc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C30H32ClN9O3/c1-30(37-29(41)27-24(31)3-2-6-33-27)4-7-39(8-5-30)26-19-34-25(18-35-26)23-15-22(20-40-28(23)21(16-32)17-36-40)43-14-11-38-9-12-42-13-10-38/h2-3,6,15,17-20H,4-5,7-14H2,1H3,(H,37,41)
InChIKeyFONKHTUVHCQPST-UHFFFAOYSA-N
XLogP3.21
TPSA133.80 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.10
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134435579) is 3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is CC1(NC(=O)c2ncccc2Cl)CCN(c2cnc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is FONKHTUVHCQPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN9O3/c1-30(37-29(41)27-24(31)3-2-6-33-27)4-7-39(8-5-30)26-19-34-25(18-35-26)23-15-22(20-40-28(23)21(16-32)17-36-40)43-14-11-38-9-12-42-13-10-38/h2-3,6,15,17-20H,4-5,7-14H2,1H3,(H,37,41).
What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 602.10 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134435579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).