3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine

C20H18N10O — CID 62706159

IUPAC3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCOc1ncccc1-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1
InChIInChI=1S/C20H18N10O/c1-11-24-17(28-20(21)25-11)16-18(26-14-7-9-23-29-14)27-15-6-5-12(10-30(15)16)13-4-3-8-22-19(13)31-2/h3-10H,1-2H3,(H2,23,26,29)(H2,21,24,25,28)
InChIKeyOEYUWZFJYRUVIQ-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.61
Rot. Bonds5

About 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 62706159) has the molecular formula C20H18N10O and a molecular weight of 414.43 g/mol. Its IUPAC name is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
PubChem CID62706159
Molecular FormulaC20H18N10O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCOc1ncccc1-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1
InChIInChI=1S/C20H18N10O/c1-11-24-17(28-20(21)25-11)16-18(26-14-7-9-23-29-14)27-15-6-5-12(10-30(15)16)13-4-3-8-22-19(13)31-2/h3-10H,1-2H3,(H2,23,26,29)(H2,21,24,25,28)
InChIKeyOEYUWZFJYRUVIQ-UHFFFAOYSA-N
XLogP2.61
TPSA144.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine (CID 62706159) is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine is COc1ncccc1-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1.
What is the InChIKey of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is OEYUWZFJYRUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N10O/c1-11-24-17(28-20(21)25-11)16-18(26-14-7-9-23-29-14)27-15-6-5-12(10-30(15)16)13-4-3-8-22-19(13)31-2/h3-10H,1-2H3,(H2,23,26,29)(H2,21,24,25,28).
What are the key properties of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine?
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 414.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 62706159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).