N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide

C25H32FN7O2 — CID 142483929

IUPACN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCC(C)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)C2CCCC2)C3)n1
InChIInChI=1S/C25H32FN7O2/c1-15(2)33(28)23(31-27)21-8-5-9-22(29-21)30-24(34)19-12-18-14-32(11-10-17(18)13-20(19)26)25(35)16-6-3-4-7-16/h5,8-9,12-13,15-16H,3-4,6-7,10-11,14,27-28H2,1-2H3,(H,29,30,34)/b31-23-
InChIKeyMMVWJGVCOAQJEZ-SXBRIOAWSA-N
MW481.58 g/mol
LogP2.75
Rot. Bonds5

About N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide

N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 142483929) has the molecular formula C25H32FN7O2 and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID142483929
Molecular FormulaC25H32FN7O2
Molecular Weight481.58 g/mol
Exact Mass481.26
IUPAC NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCC(C)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)C2CCCC2)C3)n1
InChIInChI=1S/C25H32FN7O2/c1-15(2)33(28)23(31-27)21-8-5-9-22(29-21)30-24(34)19-12-18-14-32(11-10-17(18)13-20(19)26)25(35)16-6-3-4-7-16/h5,8-9,12-13,15-16H,3-4,6-7,10-11,14,27-28H2,1-2H3,(H,29,30,34)/b31-23-
InChIKeyMMVWJGVCOAQJEZ-SXBRIOAWSA-N
XLogP2.75
TPSA129.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopropylmethylsulfanyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 142483768
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-6-fluoro-2-(3-methoxypropanoyl)-1,3-dihydroisoindole-5-carboxamide
CID 142483574
tert-butyl 7-[[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 142483788
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide
CID 142483486
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483588
7-N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-N-ethyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide
CID 142483794
7-N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-N-cyclopropyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
CID 142483955
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 142483785
6-fluoro-2-(2-hydroxy-2-methylpropanoyl)-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 155157405
6-fluoro-7-[[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 146564805
7-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-N-ethyl-6-fluoro-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide
CID 155157955
2,2,2-trifluoroethyl 6-fluoro-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-isoquinoline-2-carboxylate
CID 155157577

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 142483929) is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide is CC(C)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)C2CCCC2)C3)n1.
What is the InChIKey of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is MMVWJGVCOAQJEZ-SXBRIOAWSA-N. The full InChI is InChI=1S/C25H32FN7O2/c1-15(2)33(28)23(31-27)21-8-5-9-22(29-21)30-24(34)19-12-18-14-32(11-10-17(18)13-20(19)26)25(35)16-6-3-4-7-16/h5,8-9,12-13,15-16H,3-4,6-7,10-11,14,27-28H2,1-2H3,(H,29,30,34)/b31-23-.
What are the key properties of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide?
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 142483929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).