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

C26H29FN4O2 — CID 50848878

IUPAC(4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)c5ccc(F)cc5)CC4)cc23)CC1
InChIInChI=1S/C26H29FN4O2/c1-18-6-11-30(12-7-18)26(33)23-17-28-31-15-10-21(16-24(23)31)19-8-13-29(14-9-19)25(32)20-2-4-22(27)5-3-20/h2-5,10,15-19H,6-9,11-14H2,1H3
InChIKeyCRHSAOUFXJWAPK-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.37
Rot. Bonds3

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

(4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50848878) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID50848878
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name(4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)c5ccc(F)cc5)CC4)cc23)CC1
InChIInChI=1S/C26H29FN4O2/c1-18-6-11-30(12-7-18)26(33)23-17-28-31-15-10-21(16-24(23)31)19-8-13-29(14-9-19)25(32)20-2-4-22(27)5-3-20/h2-5,10,15-19H,6-9,11-14H2,1H3
InChIKeyCRHSAOUFXJWAPK-UHFFFAOYSA-N
XLogP4.37
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (CID 50848878) is (4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is CC1CCN(C(=O)c2cnn3ccc(C4CCN(C(=O)c5ccc(F)cc5)CC4)cc23)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is CRHSAOUFXJWAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-18-6-11-30(12-7-18)26(33)23-17-28-31-15-10-21(16-24(23)31)19-8-13-29(14-9-19)25(32)20-2-4-22(27)5-3-20/h2-5,10,15-19H,6-9,11-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 448.54 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50848878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).