7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C15H13N5OS — CID 72841266

IUPAC7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESNc1ccc2c(n1)NC(=O)CC2c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C15H13N5OS/c16-13-4-1-8-9(7-14(21)19-15(8)18-13)11-2-3-12(22-11)10-5-6-17-20-10/h1-6,9H,7H2,(H,17,20)(H3,16,18,19,21)
InChIKeyIWZKFPSVXWASHC-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.59
Rot. Bonds2

About 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 72841266) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID72841266
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESNc1ccc2c(n1)NC(=O)CC2c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C15H13N5OS/c16-13-4-1-8-9(7-14(21)19-15(8)18-13)11-2-3-12(22-11)10-5-6-17-20-10/h1-6,9H,7H2,(H,17,20)(H3,16,18,19,21)
InChIKeyIWZKFPSVXWASHC-UHFFFAOYSA-N
XLogP2.59
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
CID 50980503
7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72845356
(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97205731
7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72849270
(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97117619
6-amino-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
CID 105432353
7-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 169419561
(7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42558595
7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72885591
(7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336852
5-(5-iodothiophen-2-yl)-1H-pyrazole
CID 130909484
N-cyclopropyl-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 39754078

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 72841266) is 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Nc1ccc2c(n1)NC(=O)CC2c1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is IWZKFPSVXWASHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c16-13-4-1-8-9(7-14(21)19-15(8)18-13)11-2-3-12(22-11)10-5-6-17-20-10/h1-6,9H,7H2,(H,17,20)(H3,16,18,19,21).
What are the key properties of 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 311.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 72841266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).