(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

C14H17N5O — CID 97205731

IUPAC(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1CC(=O)Nc2nc(N)ccc21
InChIInChI=1S/C14H17N5O/c1-7-13(8(2)19(3)18-7)10-6-12(20)17-14-9(10)4-5-11(15)16-14/h4-5,10H,6H2,1-3H3,(H3,15,16,17,20)/t10-/m0/s1
InChIKeyNGTJTJHMHMQFTK-JTQLQIEISA-N
MW271.32 g/mol
LogP1.49
Rot. Bonds1

About (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 97205731) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID97205731
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1CC(=O)Nc2nc(N)ccc21
InChIInChI=1S/C14H17N5O/c1-7-13(8(2)19(3)18-7)10-6-12(20)17-14-9(10)4-5-11(15)16-14/h4-5,10H,6H2,1-3H3,(H3,15,16,17,20)/t10-/m0/s1
InChIKeyNGTJTJHMHMQFTK-JTQLQIEISA-N
XLogP1.49
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72845356
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
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
4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421577
(4R)-4-(2,4-dichlorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
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7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72841266
(4R)-3-methyl-2-propyl-4-quinolin-8-yl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136907532
(4S)-1,3-dimethyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826229
(4S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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7-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 169419561
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
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Frequently Asked Questions

What is the IUPAC name of (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 97205731) is (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1nn(C)c(C)c1[C@H]1CC(=O)Nc2nc(N)ccc21.
What is the InChIKey of (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is NGTJTJHMHMQFTK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N5O/c1-7-13(8(2)19(3)18-7)10-6-12(20)17-14-9(10)4-5-11(15)16-14/h4-5,10H,6H2,1-3H3,(H3,15,16,17,20)/t10-/m0/s1.
What are the key properties of (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 97205731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).