3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol

C18H18ClN3O — CID 44591089

IUPAC3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C18H18ClN3O/c19-15-5-3-14(4-6-15)18(23)7-9-22(12-18)11-13-10-21-17-16(13)2-1-8-20-17/h1-6,8,10,23H,7,9,11-12H2,(H,20,21)
InChIKeyBUOWMBFFJAPTLV-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.31
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol

3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 44591089) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol
PubChem CID44591089
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C18H18ClN3O/c19-15-5-3-14(4-6-15)18(23)7-9-22(12-18)11-13-10-21-17-16(13)2-1-8-20-17/h1-6,8,10,23H,7,9,11-12H2,(H,20,21)
InChIKeyBUOWMBFFJAPTLV-UHFFFAOYSA-N
XLogP3.31
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 44591086
1-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexan-1-ol
CID 44142365
1-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexan-1-ol
CID 44142364
[2-chloro-4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanol
CID 127042445
1-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]-2-methylpropan-2-ol
CID 49830324
[4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 137632584
1-[4-[2-(5-Chloropyrrolo[2,3-b]pyridin-1-yl)ethyl]piperazin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 172465934
(2R)-2-(2,4-dichlorophenyl)-1-pyrrolo[2,3-b]pyridin-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 76331567
[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol
CID 121309786
(1R,2R)-1-(4-chlorophenyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 175667914
(1R,2S)-1-(4-chlorophenyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 175667915
(R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 175667943

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol (CID 44591089) is 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol is OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ncccc23)C1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is BUOWMBFFJAPTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-15-5-3-14(4-6-15)18(23)7-9-22(12-18)11-13-10-21-17-16(13)2-1-8-20-17/h1-6,8,10,23H,7,9,11-12H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol?
3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 327.81 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 44591089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).