5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine

C18H19N7O — CID 45233212

IUPAC5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCOc1cnc(NCc2cn3cccc(C)c3n2)nc1-c1ccnn1C
InChIInChI=1S/C18H19N7O/c1-12-5-4-8-25-11-13(22-17(12)25)9-19-18-20-10-15(26-3)16(23-18)14-6-7-21-24(14)2/h4-8,10-11H,9H2,1-3H3,(H,19,20,23)
InChIKeyHSRDUNKUALKEHW-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.45
Rot. Bonds5

About 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine

5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 45233212) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID45233212
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCOc1cnc(NCc2cn3cccc(C)c3n2)nc1-c1ccnn1C
InChIInChI=1S/C18H19N7O/c1-12-5-4-8-25-11-13(22-17(12)25)9-19-18-20-10-15(26-3)16(23-18)14-6-7-21-24(14)2/h4-8,10-11H,9H2,1-3H3,(H,19,20,23)
InChIKeyHSRDUNKUALKEHW-UHFFFAOYSA-N
XLogP2.45
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine (CID 45233212) is 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine is COc1cnc(NCc2cn3cccc(C)c3n2)nc1-c1ccnn1C.
What is the InChIKey of 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is HSRDUNKUALKEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12-5-4-8-25-11-13(22-17(12)25)9-19-18-20-10-15(26-3)16(23-18)14-6-7-21-24(14)2/h4-8,10-11H,9H2,1-3H3,(H,19,20,23).
What are the key properties of 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 349.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 45233212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).