N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide

C17H16N8O — CID 62706813

IUPACN-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(Nc3ccn[nH]3)nc3ccccn23)nc(C)n1
InChIInChI=1S/C17H16N8O/c1-10-19-12(9-14(20-10)21-11(2)26)16-17(22-13-6-7-18-24-13)23-15-5-3-4-8-25(15)16/h3-9H,1-2H3,(H2,18,22,24)(H,19,20,21,26)
InChIKeyDVKPPCJTWPFHAT-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.52
Rot. Bonds4

About N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide

N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide (PubChem CID 62706813) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
PubChem CID62706813
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(Nc3ccn[nH]3)nc3ccccn23)nc(C)n1
InChIInChI=1S/C17H16N8O/c1-10-19-12(9-14(20-10)21-11(2)26)16-17(22-13-6-7-18-24-13)23-15-5-3-4-8-25(15)16/h3-9H,1-2H3,(H2,18,22,24)(H,19,20,21,26)
InChIKeyDVKPPCJTWPFHAT-UHFFFAOYSA-N
XLogP2.52
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide (CID 62706813) is N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2c(Nc3ccn[nH]3)nc3ccccn23)nc(C)n1.
What is the InChIKey of N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
The InChIKey is DVKPPCJTWPFHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-10-19-12(9-14(20-10)21-11(2)26)16-17(22-13-6-7-18-24-13)23-15-5-3-4-8-25(15)16/h3-9H,1-2H3,(H2,18,22,24)(H,19,20,21,26).
What are the key properties of N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 62706813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).