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

C34H40ClN9O2 — CID 134436614

IUPAC2-chloro-N-[1-[5-[3-cyano-6-[2-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
SMILESCCN1CCN(CCOc2cc(-c3cnc(N4CCC(C)(NC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)CC1
InChIInChI=1S/C34H40ClN9O2/c1-4-41-12-14-42(15-13-41)16-17-46-26-18-27(32-25(19-36)20-39-44(32)23-26)29-21-38-30(22-37-29)43-10-8-34(3,9-11-43)40-33(45)31-24(2)6-5-7-28(31)35/h5-7,18,20-23H,4,8-17H2,1-3H3,(H,40,45)
InChIKeyMJCUMVFMWSINEH-UHFFFAOYSA-N
MW642.21 g/mol
LogP4.43
Rot. Bonds9

About 2-chloro-N-[1-[5-[3-cyano-6-[2-(4-ethylpiperazin-1-yl)ethoxy]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-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (PubChem CID 134436614) has the molecular formula C34H40ClN9O2 and a molecular weight of 642.21 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[3-cyano-6-[2-(4-ethylpiperazin-1-yl)ethoxy]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-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
PubChem CID134436614
Molecular FormulaC34H40ClN9O2
Molecular Weight642.21 g/mol
Exact Mass641.30
IUPAC Name2-chloro-N-[1-[5-[3-cyano-6-[2-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
SMILESCCN1CCN(CCOc2cc(-c3cnc(N4CCC(C)(NC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)CC1
InChIInChI=1S/C34H40ClN9O2/c1-4-41-12-14-42(15-13-41)16-17-46-26-18-27(32-25(19-36)20-39-44(32)23-26)29-21-38-30(22-37-29)43-10-8-34(3,9-11-43)40-33(45)31-24(2)6-5-7-28(31)35/h5-7,18,20-23H,4,8-17H2,1-3H3,(H,40,45)
InChIKeyMJCUMVFMWSINEH-UHFFFAOYSA-N
XLogP4.43
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-N-[1-[5-[3-cyano-6-[2-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-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

Related Compounds

2-chloro-N-[1-[5-[3-cyano-6-[(4-ethylmorpholin-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
CID 134435597
2-chloro-N-[1-[5-[3-cyano-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
CID 134436140
(2R)-2-[[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylic acid
CID 134497110
tert-butyl 3-[[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate
CID 134436361
4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148771378
3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide
CID 134436378
4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane
CID 159713310
2-chloro-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
CID 170450988
N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 134497117
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147053019
2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide;bis(2,2,2-trifluoroacetic acid)
CID 134496787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-[2-(4-ethylpiperazin-1-yl)ethoxy]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-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (CID 134436614) is 2-chloro-N-[1-[5-[3-cyano-6-[2-(4-ethylpiperazin-1-yl)ethoxy]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-(4-ethylpiperazin-1-yl)ethoxy]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-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is CCN1CCN(CCOc2cc(-c3cnc(N4CCC(C)(NC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)CC1.
What is the InChIKey of 2-chloro-N-[1-[5-[3-cyano-6-[2-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide?
The InChIKey is MJCUMVFMWSINEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClN9O2/c1-4-41-12-14-42(15-13-41)16-17-46-26-18-27(32-25(19-36)20-39-44(32)23-26)29-21-38-30(22-37-29)43-10-8-34(3,9-11-43)40-33(45)31-24(2)6-5-7-28(31)35/h5-7,18,20-23H,4,8-17H2,1-3H3,(H,40,45).
What are the key properties of 2-chloro-N-[1-[5-[3-cyano-6-[2-(4-ethylpiperazin-1-yl)ethoxy]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-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide has a molecular weight of 642.21 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 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-(4-ethylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is sourced from PubChem (CID 134436614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).