2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C20H20N8 — CID 56881719

IUPAC2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCn1ncc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)c1C1CC1
InChIInChI=1S/C20H20N8/c1-27-18(12-3-4-12)14(10-25-27)17-13(9-21)19(22)26-16-5-8-28(11-15(16)17)20-23-6-2-7-24-20/h2,6-7,10,12H,3-5,8,11H2,1H3,(H2,22,26)
InChIKeyKLWNJGUNTXCXPB-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56881719) has the molecular formula C20H20N8 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID56881719
Molecular FormulaC20H20N8
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCn1ncc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)c1C1CC1
InChIInChI=1S/C20H20N8/c1-27-18(12-3-4-12)14(10-25-27)17-13(9-21)19(22)26-16-5-8-28(11-15(16)17)20-23-6-2-7-24-20/h2,6-7,10,12H,3-5,8,11H2,1H3,(H2,22,26)
InChIKeyKLWNJGUNTXCXPB-UHFFFAOYSA-N
XLogP2.17
TPSA109.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[6-(dimethylamino)-3-pyridinyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56886021
6-acetyl-2-amino-4-(1-pyrimidin-2-ylpyrrol-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;formic acid
CID 171330474
2-amino-6-(2-fluorophenyl)-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56889942
2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56916344
2-amino-6-(cyclopropanecarbonyl)-4-(1-phenylpyrazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 169412695
2-[2-(2-amino-3-cyano-6-ethoxycarbonyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)phenoxy]acetic acid
CID 171388136
(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
2-amino-6-butanoyl-4-[6-(dimethylamino)-3-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56913064
2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 56900902

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 56881719) is 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is Cn1ncc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)c1C1CC1.
What is the InChIKey of 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is KLWNJGUNTXCXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8/c1-27-18(12-3-4-12)14(10-25-27)17-13(9-21)19(22)26-16-5-8-28(11-15(16)17)20-23-6-2-7-24-20/h2,6-7,10,12H,3-5,8,11H2,1H3,(H2,22,26).
What are the key properties of 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 372.44 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56881719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).