N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide

C21H19N9O2 — CID 62706817

IUPACN-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cnco4)cn23)nc(C)n1
InChIInChI=1S/C21H19N9O2/c1-12-23-15(8-18(24-12)25-13(2)31)20-21(26-17-6-7-29(3)28-17)27-19-5-4-14(10-30(19)20)16-9-22-11-32-16/h4-11H,1-3H3,(H,26,28)(H,23,24,25,31)
InChIKeyXSGOPXVWIFLLDO-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.19
Rot. Bonds5

About N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide

N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide (PubChem CID 62706817) has the molecular formula C21H19N9O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)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-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
PubChem CID62706817
Molecular FormulaC21H19N9O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC NameN-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cnco4)cn23)nc(C)n1
InChIInChI=1S/C21H19N9O2/c1-12-23-15(8-18(24-12)25-13(2)31)20-21(26-17-6-7-29(3)28-17)27-19-5-4-14(10-30(19)20)16-9-22-11-32-16/h4-11H,1-3H3,(H,26,28)(H,23,24,25,31)
InChIKeyXSGOPXVWIFLLDO-UHFFFAOYSA-N
XLogP3.19
TPSA128.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)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-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide (CID 62706817) is N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)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-(1,3-oxazol-5-yl)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-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cnco4)cn23)nc(C)n1.
What is the InChIKey of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
The InChIKey is XSGOPXVWIFLLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O2/c1-12-23-15(8-18(24-12)25-13(2)31)20-21(26-17-6-7-29(3)28-17)27-19-5-4-14(10-30(19)20)16-9-22-11-32-16/h4-11H,1-3H3,(H,26,28)(H,23,24,25,31).
What are the key properties of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide?
N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide has a molecular weight of 429.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 62706817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).