N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

C27H27N7O2 — CID 155700461

IUPACN-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESCC1(NC(=O)c2cc3c(cn2)CCN(C(=O)c2ccccn2)C3)C=CC=C(c2nnc3n2CCC3)C1
InChIInChI=1S/C27H27N7O2/c1-27(10-4-6-18(15-27)24-32-31-23-8-5-12-34(23)24)30-25(35)22-14-20-17-33(13-9-19(20)16-29-22)26(36)21-7-2-3-11-28-21/h2-4,6-7,10-11,14,16H,5,8-9,12-13,15,17H2,1H3,(H,30,35)
InChIKeySKXVIILSILZFPU-UHFFFAOYSA-N
MW481.56 g/mol
LogP2.74
Rot. Bonds4

About N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (PubChem CID 155700461) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
PubChem CID155700461
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESCC1(NC(=O)c2cc3c(cn2)CCN(C(=O)c2ccccn2)C3)C=CC=C(c2nnc3n2CCC3)C1
InChIInChI=1S/C27H27N7O2/c1-27(10-4-6-18(15-27)24-32-31-23-8-5-12-34(23)24)30-25(35)22-14-20-17-33(13-9-19(20)16-29-22)26(36)21-7-2-3-11-28-21/h2-4,6-7,10-11,14,16H,5,8-9,12-13,15,17H2,1H3,(H,30,35)
InChIKeySKXVIILSILZFPU-UHFFFAOYSA-N
XLogP2.74
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide with MolForge

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Related Compounds

N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155157633
6-pyrimidin-2-yl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155157946
molecular hydrogen;oxolan-3-yl 7-[[5-(2-iminopyrrolidine-1-carboximidoyl)-1-methylcyclohexa-2,4-dien-1-yl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 155700730
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone
CID 134793170
N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 95155743
oxolan-3-yl 7-[[5-[(5R)-2-imino-5-methylpyrrolidine-1-carboximidoyl]-1-methylcyclohexa-2,4-dien-1-yl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 155700896
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
[6-(benzylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-2-ylmethanone
CID 135359074
N-[2-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 42286128
6-(cyclopentanecarbonyl)-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155700768
7-[[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
CID 155143548
3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109284060

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (CID 155700461) is N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is CC1(NC(=O)c2cc3c(cn2)CCN(C(=O)c2ccccn2)C3)C=CC=C(c2nnc3n2CCC3)C1.
What is the InChIKey of N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The InChIKey is SKXVIILSILZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-27(10-4-6-18(15-27)24-32-31-23-8-5-12-34(23)24)30-25(35)22-14-20-17-33(13-9-19(20)16-29-22)26(36)21-7-2-3-11-28-21/h2-4,6-7,10-11,14,16H,5,8-9,12-13,15,17H2,1H3,(H,30,35).
What are the key properties of N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-methylcyclohexa-2,4-dien-1-yl]-6-(pyridine-2-carbonyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 155700461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).