1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C27H32N6O2 — CID 50831030

IUPAC1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(CN3CCc4c(c(C(=O)Nc5ccccc5)nn4C)C3)cc2)CC1
InChIInChI=1S/C27H32N6O2/c1-30-14-16-33(17-15-30)27(35)21-10-8-20(9-11-21)18-32-13-12-24-23(19-32)25(29-31(24)2)26(34)28-22-6-4-3-5-7-22/h3-11H,12-19H2,1-2H3,(H,28,34)
InChIKeyQXNIMDHXLROBGI-UHFFFAOYSA-N
MW472.59 g/mol
LogP2.62
Rot. Bonds5

About 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 50831030) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID50831030
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(CN3CCc4c(c(C(=O)Nc5ccccc5)nn4C)C3)cc2)CC1
InChIInChI=1S/C27H32N6O2/c1-30-14-16-33(17-15-30)27(35)21-10-8-20(9-11-21)18-32-13-12-24-23(19-32)25(29-31(24)2)26(34)28-22-6-4-3-5-7-22/h3-11H,12-19H2,1-2H3,(H,28,34)
InChIKeyQXNIMDHXLROBGI-UHFFFAOYSA-N
XLogP2.62
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018139
N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614081
5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 53066984
5-[4-[(2-fluorophenyl)methylamino]-4-oxobutanoyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018144
N-benzyl-1-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162521
1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933303
N-benzyl-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26223552
ethyl 5-[(4-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26140595
5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018091
5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide
CID 117091590
N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137951
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619649

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 50831030) is 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CN1CCN(C(=O)c2ccc(CN3CCc4c(c(C(=O)Nc5ccccc5)nn4C)C3)cc2)CC1.
What is the InChIKey of 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is QXNIMDHXLROBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-30-14-16-33(17-15-30)27(35)21-10-8-20(9-11-21)18-32-13-12-24-23(19-32)25(29-31(24)2)26(34)28-22-6-4-3-5-7-22/h3-11H,12-19H2,1-2H3,(H,28,34).
What are the key properties of 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 50831030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).