(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

C19H20N4O — CID 175586985

IUPAC(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc3c(ccn3-c3cccnc3)c2)C1
InChIInChI=1S/C19H20N4O/c1-14-4-3-8-22(13-14)19(24)16-10-15-6-9-23(18(15)21-11-16)17-5-2-7-20-12-17/h2,5-7,9-12,14H,3-4,8,13H2,1H3
InChIKeyDZSZUXDNCNKRHR-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.29
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 175586985) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
PubChem CID175586985
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc3c(ccn3-c3cccnc3)c2)C1
InChIInChI=1S/C19H20N4O/c1-14-4-3-8-22(13-14)19(24)16-10-15-6-9-23(18(15)21-11-16)17-5-2-7-20-12-17/h2,5-7,9-12,14H,3-4,8,13H2,1H3
InChIKeyDZSZUXDNCNKRHR-UHFFFAOYSA-N
XLogP3.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

carbon dioxide;[(3S)-3-methylpiperidin-1-yl]-(1-phenylpyrrolo[2,3-b]pyridin-5-yl)methanone;sulfane
CID 165105605
(1-phenylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164780325
piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 156810735
[5-[5-[(3S)-3-ethylpiperidine-1-carbonyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl] carbamate
CID 175586966
4-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid
CID 167082153
[1-(3-methylsulfinylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 178044013
[1-(6-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811222
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
ethane;ethyl N-[5-[5-(3-hydroxypiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methylcarbamate;ethyl N-methyl-N-[5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]carbamate
CID 167448960
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110489762

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 175586985) is (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is CC1CCCN(C(=O)c2cnc3c(ccn3-c3cccnc3)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The InChIKey is DZSZUXDNCNKRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-4-3-8-22(13-14)19(24)16-10-15-6-9-23(18(15)21-11-16)17-5-2-7-20-12-17/h2,5-7,9-12,14H,3-4,8,13H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 175586985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).