(3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide

C25H30ClN5O3 — CID 90413942

IUPAC(3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cnc3ccn(CC(O)C4CCOCC4)c3c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C25H30ClN5O3/c26-20-14-29-24(30-25(33)17-2-1-6-27-12-17)11-19(20)18-10-22-21(28-13-18)3-7-31(22)15-23(32)16-4-8-34-9-5-16/h3,7,10-11,13-14,16-17,23,27,32H,1-2,4-6,8-9,12,15H2,(H,29,30,33)/t17-,23?/m1/s1
InChIKeyWXKQLLXWBDYPMT-LIXIDFRTSA-N
MW484.00 g/mol
LogP3.48
Rot. Bonds6

About (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90413942) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90413942
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name(3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cnc3ccn(CC(O)C4CCOCC4)c3c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C25H30ClN5O3/c26-20-14-29-24(30-25(33)17-2-1-6-27-12-17)11-19(20)18-10-22-21(28-13-18)3-7-31(22)15-23(32)16-4-8-34-9-5-16/h3,7,10-11,13-14,16-17,23,27,32H,1-2,4-6,8-9,12,15H2,(H,29,30,33)/t17-,23?/m1/s1
InChIKeyWXKQLLXWBDYPMT-LIXIDFRTSA-N
XLogP3.48
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90413942) is (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cnc3ccn(CC(O)C4CCOCC4)c3c2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is WXKQLLXWBDYPMT-LIXIDFRTSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c26-20-14-29-24(30-25(33)17-2-1-6-27-12-17)11-19(20)18-10-22-21(28-13-18)3-7-31(22)15-23(32)16-4-8-34-9-5-16/h3,7,10-11,13-14,16-17,23,27,32H,1-2,4-6,8-9,12,15H2,(H,29,30,33)/t17-,23?/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[1-[2-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90413942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).