2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile

C18H19N7O — CID 56868640

IUPAC2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCCn1cc(-c2cc(-c3cnc(OC)nc3)c(C#N)c(N)n2)c(C)n1
InChIInChI=1S/C18H19N7O/c1-4-5-25-10-15(11(2)24-25)16-6-13(14(7-19)17(20)23-16)12-8-21-18(26-3)22-9-12/h6,8-10H,4-5H2,1-3H3,(H2,20,23)
InChIKeyWYZBQCHRHPTWEW-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.58
Rot. Bonds5

About 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56868640) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56868640
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCCn1cc(-c2cc(-c3cnc(OC)nc3)c(C#N)c(N)n2)c(C)n1
InChIInChI=1S/C18H19N7O/c1-4-5-25-10-15(11(2)24-25)16-6-13(14(7-19)17(20)23-16)12-8-21-18(26-3)22-9-12/h6,8-10H,4-5H2,1-3H3,(H2,20,23)
InChIKeyWYZBQCHRHPTWEW-UHFFFAOYSA-N
XLogP2.58
TPSA115.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

R121919
CID 9821250
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
N-Cyclopropyl-4-[6-cyano-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrimidinamine
CID 10133732
3-(1-Pyridin-2-yl-1H-pyrazol-3-yl)-benzonitrile
CID 10236192
3-(1-Pyridin-2-yl-1H-pyrazol-4-yl)-benzonitrile
CID 10308060
5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 155532244
2-(Cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 900932
4-(Isopropylamino)-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480459

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56868640) is 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile is CCCn1cc(-c2cc(-c3cnc(OC)nc3)c(C#N)c(N)n2)c(C)n1.
What is the InChIKey of 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is WYZBQCHRHPTWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-4-5-25-10-15(11(2)24-25)16-6-13(14(7-19)17(20)23-16)12-8-21-18(26-3)22-9-12/h6,8-10H,4-5H2,1-3H3,(H2,20,23).
What are the key properties of 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 349.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxypyrimidin-5-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56868640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).