(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C18H17N5O — CID 97117619

IUPAC(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESNc1ccc2c(n1)NC(=O)C[C@@H]2c1ccccc1Cn1cccn1
InChIInChI=1S/C18H17N5O/c19-16-7-6-14-15(10-17(24)22-18(14)21-16)13-5-2-1-4-12(13)11-23-9-3-8-20-23/h1-9,15H,10-11H2,(H3,19,21,22,24)/t15-/m1/s1
InChIKeyCHVLNQYRUNREDQ-OAHLLOKOSA-N
MW319.37 g/mol
LogP2.38
Rot. Bonds3

About (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 97117619) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID97117619
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESNc1ccc2c(n1)NC(=O)C[C@@H]2c1ccccc1Cn1cccn1
InChIInChI=1S/C18H17N5O/c19-16-7-6-14-15(10-17(24)22-18(14)21-16)13-5-2-1-4-12(13)11-23-9-3-8-20-23/h1-9,15H,10-11H2,(H3,19,21,22,24)/t15-/m1/s1
InChIKeyCHVLNQYRUNREDQ-OAHLLOKOSA-N
XLogP2.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72885591
1-cyclopentyl-3-methyl-4-[2-(pyrazol-1-ylmethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170503607
2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169411275
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-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72841266
7-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide
CID 167834981
7-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 169419561
(5R)-2-amino-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557390
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169422035
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523

Frequently Asked Questions

What is the IUPAC name of (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 97117619) is (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Nc1ccc2c(n1)NC(=O)C[C@@H]2c1ccccc1Cn1cccn1.
What is the InChIKey of (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is CHVLNQYRUNREDQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N5O/c19-16-7-6-14-15(10-17(24)22-18(14)21-16)13-5-2-1-4-12(13)11-23-9-3-8-20-23/h1-9,15H,10-11H2,(H3,19,21,22,24)/t15-/m1/s1.
What are the key properties of (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 319.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 97117619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).