3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine

C23H20N6 — CID 135260458

IUPAC3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine
SMILESCn1cc(-c2ccc(-c3cnc4cccc(NCc5cccnc5)n34)cc2)cn1
InChIInChI=1S/C23H20N6/c1-28-16-20(14-27-28)18-7-9-19(10-8-18)21-15-26-23-6-2-5-22(29(21)23)25-13-17-4-3-11-24-12-17/h2-12,14-16,25H,13H2,1H3
InChIKeyNIBKVUGLQMUQKS-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.41
Rot. Bonds5

About 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine

3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine (PubChem CID 135260458) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound Name3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine
PubChem CID135260458
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine
SMILESCn1cc(-c2ccc(-c3cnc4cccc(NCc5cccnc5)n34)cc2)cn1
InChIInChI=1S/C23H20N6/c1-28-16-20(14-27-28)18-7-9-19(10-8-18)21-15-26-23-6-2-5-22(29(21)23)25-13-17-4-3-11-24-12-17/h2-12,14-16,25H,13H2,1H3
InChIKeyNIBKVUGLQMUQKS-UHFFFAOYSA-N
XLogP4.41
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-amine
CID 142403778
3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 157462785
1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 135260537
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
5-(4,4-difluorocyclohexyl)oxy-3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridine
CID 135249457
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
CID 157130590
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
1-[4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135249544
ethyl 1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylate
CID 135240865

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine?
The IUPAC name of 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine (CID 135260458) is 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine is Cn1cc(-c2ccc(-c3cnc4cccc(NCc5cccnc5)n34)cc2)cn1.
What is the InChIKey of 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine?
The InChIKey is NIBKVUGLQMUQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-28-16-20(14-27-28)18-7-9-19(10-8-18)21-15-26-23-6-2-5-22(29(21)23)25-13-17-4-3-11-24-12-17/h2-12,14-16,25H,13H2,1H3.
What are the key properties of 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine?
3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine has a molecular weight of 380.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 135260458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).