2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol

C23H27FN2O — CID 11710364

IUPAC2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1
InChIInChI=1S/C23H27FN2O/c1-15-4-7-18(24)11-20(15)22(2,3)14-23(27,17-5-6-17)12-19-10-16-13-25-9-8-21(16)26-19/h4,7-11,13,17,26-27H,5-6,12,14H2,1-3H3
InChIKeyACXWUSNNWQQMLC-UHFFFAOYSA-N
MW366.48 g/mol
LogP5.06
Rot. Bonds6

About 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol

2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol (PubChem CID 11710364) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol
PubChem CID11710364
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1
InChIInChI=1S/C23H27FN2O/c1-15-4-7-18(24)11-20(15)22(2,3)14-23(27,17-5-6-17)12-19-10-16-13-25-9-8-21(16)26-19/h4,7-11,13,17,26-27H,5-6,12,14H2,1-3H3
InChIKeyACXWUSNNWQQMLC-UHFFFAOYSA-N
XLogP5.06
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol?
The IUPAC name of 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol (CID 11710364) is 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol.
What is the SMILES notation for 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol?
The canonical SMILES for 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol is Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol?
The InChIKey is ACXWUSNNWQQMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-15-4-7-18(24)11-20(15)22(2,3)14-23(27,17-5-6-17)12-19-10-16-13-25-9-8-21(16)26-19/h4,7-11,13,17,26-27H,5-6,12,14H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol?
2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol has a molecular weight of 366.48 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol is sourced from PubChem (CID 11710364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).