[2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol

C19H15F3N4O — CID 75203578

IUPAC[2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3CO)cc2n1
InChIInChI=1S/C19H15F3N4O/c1-26-17(9-18(25-26)19(20,21)22)14-7-6-13-16(24-14)8-15(23-13)12-5-3-2-4-11(12)10-27/h2-9,23,27H,10H2,1H3
InChIKeyNHXHOMSKLHZSOI-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.14
Rot. Bonds3

About [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol

[2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol (PubChem CID 75203578) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol
PubChem CID75203578
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name[2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3CO)cc2n1
InChIInChI=1S/C19H15F3N4O/c1-26-17(9-18(25-26)19(20,21)22)14-7-6-13-16(24-14)8-15(23-13)12-5-3-2-4-11(12)10-27/h2-9,23,27H,10H2,1H3
InChIKeyNHXHOMSKLHZSOI-UHFFFAOYSA-N
XLogP4.14
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol?
The IUPAC name of [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol (CID 75203578) is [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol is Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3CO)cc2n1.
What is the InChIKey of [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol?
The InChIKey is NHXHOMSKLHZSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-26-17(9-18(25-26)19(20,21)22)14-7-6-13-16(24-14)8-15(23-13)12-5-3-2-4-11(12)10-27/h2-9,23,27H,10H2,1H3.
What are the key properties of [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol?
[2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol has a molecular weight of 372.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 75203578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).