[4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol

C21H15FN8OS — CID 137110896

IUPAC[4-[3-[7-(5-fluorothiophen-2-yl)-3H-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(-c6ccc(F)s6)cncc5[nH]4)c3n2)c(CO)n1
InChIInChI=1S/C21H15FN8OS/c1-30-8-11(15(9-31)29-30)12-2-3-13-19(24-12)20(28-27-13)21-25-14-7-23-6-10(18(14)26-21)16-4-5-17(22)32-16/h2-8,31H,9H2,1H3,(H,25,26)(H,27,28)
InChIKeyVCBRRBPWQXMARV-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.66
Rot. Bonds4

About [4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol

[4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol (PubChem CID 137110896) has the molecular formula C21H15FN8OS and a molecular weight of 446.47 g/mol. Its IUPAC name is [4-[3-[7-(5-fluorothiophen-2-yl)-3H-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-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
PubChem CID137110896
Molecular FormulaC21H15FN8OS
Molecular Weight446.47 g/mol
Exact Mass446.11
IUPAC Name[4-[3-[7-(5-fluorothiophen-2-yl)-3H-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(-c6ccc(F)s6)cncc5[nH]4)c3n2)c(CO)n1
InChIInChI=1S/C21H15FN8OS/c1-30-8-11(15(9-31)29-30)12-2-3-13-19(24-12)20(28-27-13)21-25-14-7-23-6-10(18(14)26-21)16-4-5-17(22)32-16/h2-8,31H,9H2,1H3,(H,25,26)(H,27,28)
InChIKeyVCBRRBPWQXMARV-UHFFFAOYSA-N
XLogP3.66
TPSA121.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[7-(5-fluorothiophen-2-yl)-3H-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-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol (CID 137110896) is [4-[3-[7-(5-fluorothiophen-2-yl)-3H-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-[7-(5-fluorothiophen-2-yl)-3H-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-[7-(5-fluorothiophen-2-yl)-3H-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(-c6ccc(F)s6)cncc5[nH]4)c3n2)c(CO)n1.
What is the InChIKey of [4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
The InChIKey is VCBRRBPWQXMARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN8OS/c1-30-8-11(15(9-31)29-30)12-2-3-13-19(24-12)20(28-27-13)21-25-14-7-23-6-10(18(14)26-21)16-4-5-17(22)32-16/h2-8,31H,9H2,1H3,(H,25,26)(H,27,28).
What are the key properties of [4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
[4-[3-[7-(5-fluorothiophen-2-yl)-3H-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 446.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[7-(5-fluorothiophen-2-yl)-3H-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 137110896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).