[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol

C12H15N3O — CID 175782254

IUPAC[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1ccnc2[nH]ccc12
InChIInChI=1S/C12H15N3O/c16-8-9-2-1-7-15(9)11-4-6-14-12-10(11)3-5-13-12/h3-6,9,16H,1-2,7-8H2,(H,13,14)/t9-/m1/s1
InChIKeyGCIIQFGREFFVKS-SECBINFHSA-N
MW217.27 g/mol
LogP1.52
Rot. Bonds2

About [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol

[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 175782254) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID175782254
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1ccnc2[nH]ccc12
InChIInChI=1S/C12H15N3O/c16-8-9-2-1-7-15(9)11-4-6-14-12-10(11)3-5-13-12/h3-6,9,16H,1-2,7-8H2,(H,13,14)/t9-/m1/s1
InChIKeyGCIIQFGREFFVKS-SECBINFHSA-N
XLogP1.52
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-quinolin-4-ylpiperidin-2-yl)methanol
CID 61339741
[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 75512282
[1-(5-aminoisoquinolin-8-yl)azepan-2-yl]methanol
CID 103139323
[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol
CID 116637094
[1-[3-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol
CID 143922580
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
[1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol
CID 116634008
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133378664
[1-(5-aminoquinolin-6-yl)piperidin-2-yl]methanol
CID 61406954
[1-(8-amino-3-methylisoquinolin-5-yl)azepan-2-yl]methanol
CID 102713697
[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol
CID 139951713

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol (CID 175782254) is [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1ccnc2[nH]ccc12.
What is the InChIKey of [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is GCIIQFGREFFVKS-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O/c16-8-9-2-1-7-15(9)11-4-6-14-12-10(11)3-5-13-12/h3-6,9,16H,1-2,7-8H2,(H,13,14)/t9-/m1/s1.
What are the key properties of [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol?
[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 175782254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).