(1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

C24H26FN3O — CID 92572436

IUPAC(1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccccc2F)C[C@H]2CC[C@@H](C1)N2Cc1c(C2CC2)[nH]c2ncccc12
InChIInChI=1S/C24H26FN3O/c25-21-6-2-1-5-20(21)24(29)12-16-9-10-17(13-24)28(16)14-19-18-4-3-11-26-23(18)27-22(19)15-7-8-15/h1-6,11,15-17,29H,7-10,12-14H2,(H,26,27)/t16-,17+,24?
InChIKeyVZLCCSAUDQLNCF-LDSCYUJKSA-N
MW391.49 g/mol
LogP4.59
Rot. Bonds4

About (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 92572436) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID92572436
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name(1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccccc2F)C[C@H]2CC[C@@H](C1)N2Cc1c(C2CC2)[nH]c2ncccc12
InChIInChI=1S/C24H26FN3O/c25-21-6-2-1-5-20(21)24(29)12-16-9-10-17(13-24)28(16)14-19-18-4-3-11-26-23(18)27-22(19)15-7-8-15/h1-6,11,15-17,29H,7-10,12-14H2,(H,26,27)/t16-,17+,24?
InChIKeyVZLCCSAUDQLNCF-LDSCYUJKSA-N
XLogP4.59
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1S,5S)-3-(4-methylphenyl)-8-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98133184
8-[(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 110233943
3-(2-fluorophenyl)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3836304
(1R,5R)-3-(4-methoxyphenyl)-8-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98133189
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
(1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51501822
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
(1R,5R)-3-(2-fluorophenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137306
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966276
(1R,5S)-3-(2-fluorophenyl)-8-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51504229
2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide
CID 46966024

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 92572436) is (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2ccccc2F)C[C@H]2CC[C@@H](C1)N2Cc1c(C2CC2)[nH]c2ncccc12.
What is the InChIKey of (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VZLCCSAUDQLNCF-LDSCYUJKSA-N. The full InChI is InChI=1S/C24H26FN3O/c25-21-6-2-1-5-20(21)24(29)12-16-9-10-17(13-24)28(16)14-19-18-4-3-11-26-23(18)27-22(19)15-7-8-15/h1-6,11,15-17,29H,7-10,12-14H2,(H,26,27)/t16-,17+,24?.
What are the key properties of (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 391.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 92572436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).