N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C35H35ClN8O4 — CID 165147636

IUPACN-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cc(NCc2cnc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5cc6n(n5)CCN(C)C6)c4Cl)c3C)cc2OC)ccn1
InChIInChI=1S/C35H35ClN8O4/c1-21-25(26-8-6-10-28(33(26)36)41-35(46)30-16-24-20-43(2)13-14-44(24)42-30)7-5-9-27(21)40-34(45)29-17-31(47-3)22(19-39-29)18-38-23-11-12-37-32(15-23)48-4/h5-12,15-17,19H,13-14,18,20H2,1-4H3,(H,37,38)(H,40,45)(H,41,46)
InChIKeyZDWPOQQFDGDBKG-UHFFFAOYSA-N
MW667.17 g/mol
LogP5.88
Rot. Bonds10

About N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 165147636) has the molecular formula C35H35ClN8O4 and a molecular weight of 667.17 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID165147636
Molecular FormulaC35H35ClN8O4
Molecular Weight667.17 g/mol
Exact Mass666.25
IUPAC NameN-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cc(NCc2cnc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5cc6n(n5)CCN(C)C6)c4Cl)c3C)cc2OC)ccn1
InChIInChI=1S/C35H35ClN8O4/c1-21-25(26-8-6-10-28(33(26)36)41-35(46)30-16-24-20-43(2)13-14-44(24)42-30)7-5-9-27(21)40-34(45)29-17-31(47-3)22(19-39-29)18-38-23-11-12-37-32(15-23)48-4/h5-12,15-17,19H,13-14,18,20H2,1-4H3,(H,37,38)(H,40,45)(H,41,46)
InChIKeyZDWPOQQFDGDBKG-UHFFFAOYSA-N
XLogP5.88
TPSA135.53 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.17
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide 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

N-[2-chloro-3-[3-[[5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 165147565
N-[2-chloro-3-[3-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 156575161
4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
CID 153331952
N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 176544134
N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175976309
4-methoxy-N-[3-[3-[[4-methoxy-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide;molecular hydrogen
CID 153331960
N-[3-[3-[[5-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 165147576
5-[[[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]methyl]-N-[3-[3-[[5-[[[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
CID 155385006
(3S)-1-[[6-[[3-[3-[[5-[[(3S)-3-formylpyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-4-methoxy-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid
CID 155393510
N-[2-chloro-3-[3-[[5-formyl-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 172702696
5-bromo-4-methoxy-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 155393492
4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide
CID 159817032

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 165147636) is N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cc(NCc2cnc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5cc6n(n5)CCN(C)C6)c4Cl)c3C)cc2OC)ccn1.
What is the InChIKey of N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is ZDWPOQQFDGDBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClN8O4/c1-21-25(26-8-6-10-28(33(26)36)41-35(46)30-16-24-20-43(2)13-14-44(24)42-30)7-5-9-27(21)40-34(45)29-17-31(47-3)22(19-39-29)18-38-23-11-12-37-32(15-23)48-4/h5-12,15-17,19H,13-14,18,20H2,1-4H3,(H,37,38)(H,40,45)(H,41,46).
What are the key properties of N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 667.17 g/mol, XLogP of 5.88, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[3-[[4-methoxy-5-[[(2-methoxy-4-pyridinyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 165147636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).