1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C28H33N5O3 — CID 92896902

IUPAC1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(C(=O)N(Cc2nn(C)c3c2CN(C(=O)NC[C@H]2CCCO2)CC3)c2ccccc2)cc1
InChIInChI=1S/C28H33N5O3/c1-20-10-12-21(13-11-20)27(34)33(22-7-4-3-5-8-22)19-25-24-18-32(15-14-26(24)31(2)30-25)28(35)29-17-23-9-6-16-36-23/h3-5,7-8,10-13,23H,6,9,14-19H2,1-2H3,(H,29,35)/t23-/m1/s1
InChIKeyNJFWJVYDLSHGPD-HSZRJFAPSA-N
MW487.60 g/mol
LogP3.82
Rot. Bonds6

About 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 92896902) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID92896902
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(C(=O)N(Cc2nn(C)c3c2CN(C(=O)NC[C@H]2CCCO2)CC3)c2ccccc2)cc1
InChIInChI=1S/C28H33N5O3/c1-20-10-12-21(13-11-20)27(34)33(22-7-4-3-5-8-22)19-25-24-18-32(15-14-26(24)31(2)30-25)28(35)29-17-23-9-6-16-36-23/h3-5,7-8,10-13,23H,6,9,14-19H2,1-2H3,(H,29,35)/t23-/m1/s1
InChIKeyNJFWJVYDLSHGPD-HSZRJFAPSA-N
XLogP3.82
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 46391559
3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 50834978
3-[(N-acetylanilino)methyl]-N-(4-bromophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 50834906
N-(oxolan-2-ylmethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 53185476
N-[[5-(1,2-dimethylimidazol-4-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
CID 53019338
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide
CID 53017959
N-[[5-(2,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-phenylbenzamide
CID 53019318
N-[[5-(3-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
CID 53019373
3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide
CID 75435937
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 92896902) is 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(C(=O)NC[C@H]2CCCO2)CC3)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is NJFWJVYDLSHGPD-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-20-10-12-21(13-11-20)27(34)33(22-7-4-3-5-8-22)19-25-24-18-32(15-14-26(24)31(2)30-25)28(35)29-17-23-9-6-16-36-23/h3-5,7-8,10-13,23H,6,9,14-19H2,1-2H3,(H,29,35)/t23-/m1/s1.
What are the key properties of 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(N-(4-methylbenzoyl)anilino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 92896902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).