N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

C24H23N5O2S — CID 91949461

IUPACN-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)C1CN(C(=O)c2cccs2)Cc2cccnc21
InChIInChI=1S/C24H23N5O2S/c30-23(26-11-5-12-29-20-8-2-1-6-17(20)14-27-29)19-16-28(24(31)21-9-4-13-32-21)15-18-7-3-10-25-22(18)19/h1-4,6-10,13-14,19H,5,11-12,15-16H2,(H,26,30)
InChIKeyRNLPCOJVZQIDDN-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.44
Rot. Bonds6

About N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (PubChem CID 91949461) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
PubChem CID91949461
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)C1CN(C(=O)c2cccs2)Cc2cccnc21
InChIInChI=1S/C24H23N5O2S/c30-23(26-11-5-12-29-20-8-2-1-6-17(20)14-27-29)19-16-28(24(31)21-9-4-13-32-21)15-18-7-3-10-25-22(18)19/h1-4,6-10,13-14,19H,5,11-12,15-16H2,(H,26,30)
InChIKeyRNLPCOJVZQIDDN-UHFFFAOYSA-N
XLogP3.44
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-indazol-2-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949462
N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949554
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949530
N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949351
6-(furan-2-carbonyl)-N-(3-indazol-2-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949338
(1S,6R)-6-(3-indazol-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 95738885
N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 72845118
(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 97118781
N-(3-indazol-1-ylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45171237
6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949173
6-(furan-2-carbonyl)-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949384
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (CID 91949461) is N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is O=C(NCCCn1ncc2ccccc21)C1CN(C(=O)c2cccs2)Cc2cccnc21.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The InChIKey is RNLPCOJVZQIDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-23(26-11-5-12-29-20-8-2-1-6-17(20)14-27-29)19-16-28(24(31)21-9-4-13-32-21)15-18-7-3-10-25-22(18)19/h1-4,6-10,13-14,19H,5,11-12,15-16H2,(H,26,30).
What are the key properties of N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 91949461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).