(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol

C21H22F3N3O — CID 137456331

IUPAC(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESCc1cnc2cc(C(O)N3CCC(c4ccccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C21H22F3N3O/c1-13-10-18-17(25-12-13)11-19(26-18)20(28)27-8-6-14(7-9-27)15-4-2-3-5-16(15)21(22,23)24/h2-5,10-12,14,20,26,28H,6-9H2,1H3
InChIKeyJFFIUKYBQBIUPG-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.76
Rot. Bonds3

About (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol

(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (PubChem CID 137456331) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.

Molecular Properties

Compound Name(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
PubChem CID137456331
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESCc1cnc2cc(C(O)N3CCC(c4ccccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C21H22F3N3O/c1-13-10-18-17(25-12-13)11-19(26-18)20(28)27-8-6-14(7-9-27)15-4-2-3-5-16(15)21(22,23)24/h2-5,10-12,14,20,26,28H,6-9H2,1H3
InChIKeyJFFIUKYBQBIUPG-UHFFFAOYSA-N
XLogP4.76
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The IUPAC name of (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (CID 137456331) is (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.
What is the SMILES notation for (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The canonical SMILES for (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is Cc1cnc2cc(C(O)N3CCC(c4ccccc4C(F)(F)F)CC3)[nH]c2c1.
What is the InChIKey of (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The InChIKey is JFFIUKYBQBIUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c1-13-10-18-17(25-12-13)11-19(26-18)20(28)27-8-6-14(7-9-27)15-4-2-3-5-16(15)21(22,23)24/h2-5,10-12,14,20,26,28H,6-9H2,1H3.
What are the key properties of (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol has a molecular weight of 389.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is sourced from PubChem (CID 137456331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).