N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide

C20H23N7O — CID 25138087

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(N3CCCC3)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28)
InChIKeyFKWNFEDFTOOVQH-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide (PubChem CID 25138087) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide
PubChem CID25138087
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(N3CCCC3)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28)
InChIKeyFKWNFEDFTOOVQH-UHFFFAOYSA-N
XLogP2.90
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069914
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide
CID 25074004
Acetamide, N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxy-1-piperidinyl)-2-pyridinyl]-4-pyrimidinyl]-
CID 25074316
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138086
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138090
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138091
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599
N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25069603
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
CID 25138072

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide (CID 25138087) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(N3CCCC3)n2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide?
The InChIKey is FKWNFEDFTOOVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).