(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

C32H33ClN8O5 — CID 134497110

IUPAC(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
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OC[C@H]4CN(C(=O)O)CCO4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H33ClN8O5/c1-20-4-3-5-25(33)28(20)30(42)38-32(2)6-8-39(9-7-32)27-16-35-26(15-36-27)24-12-22(18-41-29(24)21(13-34)14-37-41)46-19-23-17-40(31(43)44)10-11-45-23/h3-5,12,14-16,18,23H,6-11,17,19H2,1-2H3,(H,38,42)(H,43,44)/t23-/m1/s1
InChIKeyCTTDXGZSZOAMOH-HSZRJFAPSA-N
MW645.12 g/mol
LogP4.17
Rot. Bonds7

About (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

(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 (PubChem CID 134497110) has the molecular formula C32H33ClN8O5 and a molecular weight of 645.12 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID134497110
Molecular FormulaC32H33ClN8O5
Molecular Weight645.12 g/mol
Exact Mass644.23
IUPAC Name(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
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OC[C@H]4CN(C(=O)O)CCO4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H33ClN8O5/c1-20-4-3-5-25(33)28(20)30(42)38-32(2)6-8-39(9-7-32)27-16-35-26(15-36-27)24-12-22(18-41-29(24)21(13-34)14-37-41)46-19-23-17-40(31(43)44)10-11-45-23/h3-5,12,14-16,18,23H,6-11,17,19H2,1-2H3,(H,38,42)(H,43,44)/t23-/m1/s1
InChIKeyCTTDXGZSZOAMOH-HSZRJFAPSA-N
XLogP4.17
TPSA158.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.12
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (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 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
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
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
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
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
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
N-[(3aR,6aS)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide
CID 155388117
3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134435978
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134434698
tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate
CID 134436989

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OC[C@H]4CN(C(=O)O)CCO4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of (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?
The InChIKey is CTTDXGZSZOAMOH-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H33ClN8O5/c1-20-4-3-5-25(33)28(20)30(42)38-32(2)6-8-39(9-7-32)27-16-35-26(15-36-27)24-12-22(18-41-29(24)21(13-34)14-37-41)46-19-23-17-40(31(43)44)10-11-45-23/h3-5,12,14-16,18,23H,6-11,17,19H2,1-2H3,(H,38,42)(H,43,44)/t23-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 645.12 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 134497110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).