1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol

C24H28F3N3O2 — CID 92580325

IUPAC1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol
SMILESCC(C)Oc1ccc(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-17(2)32-20-7-5-18(6-8-20)15-29-12-9-23(31,10-13-29)16-30-21(24(25,26)27)14-19-4-3-11-28-22(19)30/h3-8,11,14,17,31H,9-10,12-13,15-16H2,1-2H3
InChIKeyBNEVWDJBMGQRPP-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.87
Rot. Bonds6

About 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol

1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol (PubChem CID 92580325) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol
PubChem CID92580325
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol
SMILESCC(C)Oc1ccc(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-17(2)32-20-7-5-18(6-8-20)15-29-12-9-23(31,10-13-29)16-30-21(24(25,26)27)14-19-4-3-11-28-22(19)30/h3-8,11,14,17,31H,9-10,12-13,15-16H2,1-2H3
InChIKeyBNEVWDJBMGQRPP-UHFFFAOYSA-N
XLogP4.87
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
6-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023791
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine
CID 9840856
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
3-(4-Cyclopropyloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179286
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol (CID 92580325) is 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol is CC(C)Oc1ccc(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)cc1.
What is the InChIKey of 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol?
The InChIKey is BNEVWDJBMGQRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-17(2)32-20-7-5-18(6-8-20)15-29-12-9-23(31,10-13-29)16-30-21(24(25,26)27)14-19-4-3-11-28-22(19)30/h3-8,11,14,17,31H,9-10,12-13,15-16H2,1-2H3.
What are the key properties of 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol?
1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol has a molecular weight of 447.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 92580325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).