[4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol

C21H16N8O2 — CID 137312588

IUPAC[4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3n2)c(CO)n1
InChIInChI=1S/C21H16N8O2/c1-29-8-12(16(9-30)28-29)13-2-3-15-19(23-13)20(27-26-15)21-24-14-4-6-22-17(18(14)25-21)11-5-7-31-10-11/h2-8,10,30H,9H2,1H3,(H,24,25)(H,26,27)
InChIKeyHIIKJRROVFPLGO-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.05
Rot. Bonds4

About [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol

[4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol (PubChem CID 137312588) has the molecular formula C21H16N8O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
PubChem CID137312588
Molecular FormulaC21H16N8O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name[4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3n2)c(CO)n1
InChIInChI=1S/C21H16N8O2/c1-29-8-12(16(9-30)28-29)13-2-3-15-19(23-13)20(27-26-15)21-24-14-4-6-22-17(18(14)25-21)11-5-7-31-10-11/h2-8,10,30H,9H2,1H3,(H,24,25)(H,26,27)
InChIKeyHIIKJRROVFPLGO-UHFFFAOYSA-N
XLogP3.05
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol (CID 137312588) is [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol is Cn1cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3n2)c(CO)n1.
What is the InChIKey of [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
The InChIKey is HIIKJRROVFPLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8O2/c1-29-8-12(16(9-30)28-29)13-2-3-15-19(23-13)20(27-26-15)21-24-14-4-6-22-17(18(14)25-21)11-5-7-31-10-11/h2-8,10,30H,9H2,1H3,(H,24,25)(H,26,27).
What are the key properties of [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
[4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol has a molecular weight of 412.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 137312588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).