2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C21H21FN6O — CID 56889942

IUPAC2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCc1nn(CCO)cc1-c1c(C#N)c(N)nc2c1CN(c1ccccc1F)CC2
InChIInChI=1S/C21H21FN6O/c1-13-15(12-28(26-13)8-9-29)20-14(10-23)21(24)25-18-6-7-27(11-16(18)20)19-5-3-2-4-17(19)22/h2-5,12,29H,6-9,11H2,1H3,(H2,24,25)
InChIKeyWEUWVVVIGRLPHA-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.40
Rot. Bonds4

About 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56889942) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID56889942
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCc1nn(CCO)cc1-c1c(C#N)c(N)nc2c1CN(c1ccccc1F)CC2
InChIInChI=1S/C21H21FN6O/c1-13-15(12-28(26-13)8-9-29)20-14(10-23)21(24)25-18-6-7-27(11-16(18)20)19-5-3-2-4-17(19)22/h2-5,12,29H,6-9,11H2,1H3,(H2,24,25)
InChIKeyWEUWVVVIGRLPHA-UHFFFAOYSA-N
XLogP2.40
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 135990808
2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56881719
2-[2-(2-amino-3-cyano-6-ethoxycarbonyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)phenoxy]acetic acid
CID 171388136
ethane;2-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzonitrile
CID 91278482
2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56886021
2-amino-4-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635818
2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 19256869
(6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95402726
6-acetyl-2-amino-4-[4-(pyrazol-1-ylmethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 169413678
2-amino-6-(cyclobutanecarbonyl)-4-(2,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;formic acid
CID 171339231
5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
CID 102795510
2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635452

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 56889942) is 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is Cc1nn(CCO)cc1-c1c(C#N)c(N)nc2c1CN(c1ccccc1F)CC2.
What is the InChIKey of 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is WEUWVVVIGRLPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-13-15(12-28(26-13)8-9-29)20-14(10-23)21(24)25-18-6-7-27(11-16(18)20)19-5-3-2-4-17(19)22/h2-5,12,29H,6-9,11H2,1H3,(H2,24,25).
What are the key properties of 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 392.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56889942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).