N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide

C24H23N9O — CID 62706815

IUPACN-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cccnc4C)cn23)nc(C)n1
InChIInChI=1S/C24H23N9O/c1-14-18(6-5-10-25-14)17-7-8-22-30-24(29-20-9-11-32(4)31-20)23(33(22)13-17)19-12-21(28-16(3)34)27-15(2)26-19/h5-13H,1-4H3,(H,29,31)(H,26,27,28,34)
InChIKeyYQTDIAJNWCPLOM-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.91
Rot. Bonds5

About N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide

N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide (PubChem CID 62706815) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
PubChem CID62706815
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC NameN-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cccnc4C)cn23)nc(C)n1
InChIInChI=1S/C24H23N9O/c1-14-18(6-5-10-25-14)17-7-8-22-30-24(29-20-9-11-32(4)31-20)23(33(22)13-17)19-12-21(28-16(3)34)27-15(2)26-19/h5-13H,1-4H3,(H,29,31)(H,26,27,28,34)
InChIKeyYQTDIAJNWCPLOM-UHFFFAOYSA-N
XLogP3.91
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide (CID 62706815) is N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cccnc4C)cn23)nc(C)n1.
What is the InChIKey of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
The InChIKey is YQTDIAJNWCPLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O/c1-14-18(6-5-10-25-14)17-7-8-22-30-24(29-20-9-11-32(4)31-20)23(33(22)13-17)19-12-21(28-16(3)34)27-15(2)26-19/h5-13H,1-4H3,(H,29,31)(H,26,27,28,34).
What are the key properties of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide has a molecular weight of 453.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 62706815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).