1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C19H24N8O — CID 175752949

IUPAC1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCN1CCN(c2cc(C3CC3)cn3cc(Cn4cc(C(N)=O)nn4)nc23)CC1
InChIInChI=1S/C19H24N8O/c1-24-4-6-25(7-5-24)17-8-14(13-2-3-13)9-26-10-15(21-19(17)26)11-27-12-16(18(20)28)22-23-27/h8-10,12-13H,2-7,11H2,1H3,(H2,20,28)
InChIKeyIYHKACVEHLGDMG-UHFFFAOYSA-N
MW380.46 g/mol
LogP0.70
Rot. Bonds5

About 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 175752949) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID175752949
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCN1CCN(c2cc(C3CC3)cn3cc(Cn4cc(C(N)=O)nn4)nc23)CC1
InChIInChI=1S/C19H24N8O/c1-24-4-6-25(7-5-24)17-8-14(13-2-3-13)9-26-10-15(21-19(17)26)11-27-12-16(18(20)28)22-23-27/h8-10,12-13H,2-7,11H2,1H3,(H2,20,28)
InChIKeyIYHKACVEHLGDMG-UHFFFAOYSA-N
XLogP0.70
TPSA97.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 175752949) is 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is CN1CCN(c2cc(C3CC3)cn3cc(Cn4cc(C(N)=O)nn4)nc23)CC1.
What is the InChIKey of 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is IYHKACVEHLGDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-24-4-6-25(7-5-24)17-8-14(13-2-3-13)9-26-10-15(21-19(17)26)11-27-12-16(18(20)28)22-23-27/h8-10,12-13H,2-7,11H2,1H3,(H2,20,28).
What are the key properties of 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 175752949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).