[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone

C21H19N9O2 — CID 170333812

IUPAC[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCc1[nH]ncc1-c1nnc(C(=O)N2CCc3[nH]cnc3C2c2cc3c(C)cccn3n2)o1
InChIInChI=1S/C21H19N9O2/c1-11-4-3-6-30-16(11)8-15(28-30)18-17-14(22-10-23-17)5-7-29(18)21(31)20-27-26-19(32-20)13-9-24-25-12(13)2/h3-4,6,8-10,18H,5,7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyXUGMIYQWHURDDC-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.24
Rot. Bonds3

About [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone

[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 170333812) has the molecular formula C21H19N9O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID170333812
Molecular FormulaC21H19N9O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCc1[nH]ncc1-c1nnc(C(=O)N2CCc3[nH]cnc3C2c2cc3c(C)cccn3n2)o1
InChIInChI=1S/C21H19N9O2/c1-11-4-3-6-30-16(11)8-15(28-30)18-17-14(22-10-23-17)5-7-29(18)21(31)20-27-26-19(32-20)13-9-24-25-12(13)2/h3-4,6,8-10,18H,5,7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyXUGMIYQWHURDDC-UHFFFAOYSA-N
XLogP2.24
TPSA133.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (CID 170333812) is [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is Cc1[nH]ncc1-c1nnc(C(=O)N2CCc3[nH]cnc3C2c2cc3c(C)cccn3n2)o1.
What is the InChIKey of [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is XUGMIYQWHURDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O2/c1-11-4-3-6-30-16(11)8-15(28-30)18-17-14(22-10-23-17)5-7-29(18)21(31)20-27-26-19(32-20)13-9-24-25-12(13)2/h3-4,6,8-10,18H,5,7H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone?
[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 429.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 170333812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).