2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol

C24H29FN2O — CID 58305229

IUPAC2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol
SMILESCc1cnc2[nH]c([C@H](CC3CCCC3)c3ccc(C(C)(C)O)c(F)c3)cc2c1
InChIInChI=1S/C24H29FN2O/c1-15-10-18-13-22(27-23(18)26-14-15)19(11-16-6-4-5-7-16)17-8-9-20(21(25)12-17)24(2,3)28/h8-10,12-14,16,19,28H,4-7,11H2,1-3H3,(H,26,27)/t19-/m1/s1
InChIKeyNRCCPQVUCAYEPF-LJQANCHMSA-N
MW380.51 g/mol
LogP5.95
Rot. Bonds5

About 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol

2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol (PubChem CID 58305229) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol
PubChem CID58305229
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol
SMILESCc1cnc2[nH]c([C@H](CC3CCCC3)c3ccc(C(C)(C)O)c(F)c3)cc2c1
InChIInChI=1S/C24H29FN2O/c1-15-10-18-13-22(27-23(18)26-14-15)19(11-16-6-4-5-7-16)17-8-9-20(21(25)12-17)24(2,3)28/h8-10,12-14,16,19,28H,4-7,11H2,1-3H3,(H,26,27)/t19-/m1/s1
InChIKeyNRCCPQVUCAYEPF-LJQANCHMSA-N
XLogP5.95
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol (CID 58305229) is 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol is Cc1cnc2[nH]c([C@H](CC3CCCC3)c3ccc(C(C)(C)O)c(F)c3)cc2c1.
What is the InChIKey of 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol?
The InChIKey is NRCCPQVUCAYEPF-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29FN2O/c1-15-10-18-13-22(27-23(18)26-14-15)19(11-16-6-4-5-7-16)17-8-9-20(21(25)12-17)24(2,3)28/h8-10,12-14,16,19,28H,4-7,11H2,1-3H3,(H,26,27)/t19-/m1/s1.
What are the key properties of 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol?
2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol has a molecular weight of 380.51 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-2-cyclopentyl-1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]-2-fluorophenyl]propan-2-ol is sourced from PubChem (CID 58305229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).