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

C22H20N10O — CID 62706315

IUPACN-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3nc(Nc4ccn[nH]4)c(-c4nc(C)nc(N)n4)n3c2)c1
InChIInChI=1S/C22H20N10O/c1-12-25-20(30-22(23)26-12)19-21(28-17-8-9-24-31-17)29-18-7-6-15(11-32(18)19)14-4-3-5-16(10-14)27-13(2)33/h3-11H,1-2H3,(H,27,33)(H2,24,28,31)(H2,23,25,26,30)
InChIKeyZOHYOLFOCULNKX-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.17
Rot. Bonds5

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

N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 62706315) has the molecular formula C22H20N10O and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
PubChem CID62706315
Molecular FormulaC22H20N10O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC NameN-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3nc(Nc4ccn[nH]4)c(-c4nc(C)nc(N)n4)n3c2)c1
InChIInChI=1S/C22H20N10O/c1-12-25-20(30-22(23)26-12)19-21(28-17-8-9-24-31-17)29-18-7-6-15(11-32(18)19)14-4-3-5-16(10-14)27-13(2)33/h3-11H,1-2H3,(H,27,33)(H2,24,28,31)(H2,23,25,26,30)
InChIKeyZOHYOLFOCULNKX-UHFFFAOYSA-N
XLogP3.17
TPSA151.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide (CID 62706315) is N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc3nc(Nc4ccn[nH]4)c(-c4nc(C)nc(N)n4)n3c2)c1.
What is the InChIKey of N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is ZOHYOLFOCULNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N10O/c1-12-25-20(30-22(23)26-12)19-21(28-17-8-9-24-31-17)29-18-7-6-15(11-32(18)19)14-4-3-5-16(10-14)27-13(2)33/h3-11H,1-2H3,(H,27,33)(H2,24,28,31)(H2,23,25,26,30).
What are the key properties of N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 440.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 62706315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).