[3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

C26H31N5O3 — CID 50848976

IUPAC[3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)c1
InChIInChI=1S/C26H31N5O3/c1-28(2)22-5-3-4-21(16-22)25(32)29-9-6-19(7-10-29)20-8-11-31-24(17-20)23(18-27-31)26(33)30-12-14-34-15-13-30/h3-5,8,11,16-19H,6-7,9-10,12-15H2,1-2H3
InChIKeyHXIIAPHZKUZYOD-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.89
Rot. Bonds4

About [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50848976) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID50848976
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name[3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)c1
InChIInChI=1S/C26H31N5O3/c1-28(2)22-5-3-4-21(16-22)25(32)29-9-6-19(7-10-29)20-8-11-31-24(17-20)23(18-27-31)26(33)30-12-14-34-15-13-30/h3-5,8,11,16-19H,6-7,9-10,12-15H2,1-2H3
InChIKeyHXIIAPHZKUZYOD-UHFFFAOYSA-N
XLogP2.89
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethylphenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849106
(4-chlorophenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848975
1-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848848
(2-bromophenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849007
(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848910
(3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848779
[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848733
[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848962
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50849025
[5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848636
N-(2,6-dimethylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848887
(2-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848974

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (CID 50848976) is [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is HXIIAPHZKUZYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-28(2)22-5-3-4-21(16-22)25(32)29-9-6-19(7-10-29)20-8-11-31-24(17-20)23(18-27-31)26(33)30-12-14-34-15-13-30/h3-5,8,11,16-19H,6-7,9-10,12-15H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 461.57 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50848976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).