(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol

C18H26N4O — CID 124802857

IUPAC(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)C1
InChIInChI=1S/C18H26N4O/c23-14-5-3-9-22(11-14)12-16-15-6-2-8-20-18(15)21-17(16)13-4-1-7-19-10-13/h2,6,8,13-14,19,23H,1,3-5,7,9-12H2,(H,20,21)/t13-,14+/m0/s1
InChIKeyPRGUSTUJRDFUNH-UONOGXRCSA-N
MW314.43 g/mol
LogP1.99
Rot. Bonds3

About (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol

(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol (PubChem CID 124802857) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol
PubChem CID124802857
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)C1
InChIInChI=1S/C18H26N4O/c23-14-5-3-9-22(11-14)12-16-15-6-2-8-20-18(15)21-17(16)13-4-1-7-19-10-13/h2,6,8,13-14,19,23H,1,3-5,7,9-12H2,(H,20,21)/t13-,14+/m0/s1
InChIKeyPRGUSTUJRDFUNH-UONOGXRCSA-N
XLogP1.99
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 110234744
4-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,4-oxazepane;hydrochloride
CID 118741935
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 95854321
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124909668
1-[3-[3-(1,4-oxazepan-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 110235220
2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol
CID 92574750
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 51593062
2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine
CID 110234738
3-[[(2S,3R)-2,3-dimethylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 124792224
1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 95857721

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol (CID 124802857) is (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol is O[C@@H]1CCCN(Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)C1.
What is the InChIKey of (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol?
The InChIKey is PRGUSTUJRDFUNH-UONOGXRCSA-N. The full InChI is InChI=1S/C18H26N4O/c23-14-5-3-9-22(11-14)12-16-15-6-2-8-20-18(15)21-17(16)13-4-1-7-19-10-13/h2,6,8,13-14,19,23H,1,3-5,7,9-12H2,(H,20,21)/t13-,14+/m0/s1.
What are the key properties of (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol?
(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol has a molecular weight of 314.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 124802857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).