(3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

C25H27BrN4O2 — CID 50849069

IUPAC(3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1
InChIInChI=1S/C25H27BrN4O2/c26-21-6-4-5-20(15-21)24(31)29-12-7-18(8-13-29)19-9-14-30-23(16-19)22(17-27-30)25(32)28-10-2-1-3-11-28/h4-6,9,14-18H,1-3,7-8,10-13H2
InChIKeyFZEFXPYPDXOKEG-UHFFFAOYSA-N
MW495.42 g/mol
LogP4.74
Rot. Bonds3

About (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

(3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50849069) has the molecular formula C25H27BrN4O2 and a molecular weight of 495.42 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID50849069
Molecular FormulaC25H27BrN4O2
Molecular Weight495.42 g/mol
Exact Mass494.13
IUPAC Name(3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1
InChIInChI=1S/C25H27BrN4O2/c26-21-6-4-5-20(15-21)24(31)29-12-7-18(8-13-29)19-9-14-30-23(16-19)22(17-27-30)25(32)28-10-2-1-3-11-28/h4-6,9,14-18H,1-3,7-8,10-13H2
InChIKeyFZEFXPYPDXOKEG-UHFFFAOYSA-N
XLogP4.74
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (CID 50849069) is (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is FZEFXPYPDXOKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN4O2/c26-21-6-4-5-20(15-21)24(31)29-12-7-18(8-13-29)19-9-14-30-23(16-19)22(17-27-30)25(32)28-10-2-1-3-11-28/h4-6,9,14-18H,1-3,7-8,10-13H2.
What are the key properties of (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
(3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 495.42 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50849069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).