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

C27H32N4O3 — CID 50848779

IUPAC(3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(C)CC5)c4c3)CC2)c1
InChIInChI=1S/C27H32N4O3/c1-19-6-11-30(12-7-19)27(33)24-18-28-31-15-10-21(17-25(24)31)20-8-13-29(14-9-20)26(32)22-4-3-5-23(16-22)34-2/h3-5,10,15-20H,6-9,11-14H2,1-2H3
InChIKeyJUIJTIZXRQUBFD-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.23
Rot. Bonds4

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

(3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50848779) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID50848779
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name(3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(C)CC5)c4c3)CC2)c1
InChIInChI=1S/C27H32N4O3/c1-19-6-11-30(12-7-19)27(33)24-18-28-31-15-10-21(17-25(24)31)20-8-13-29(14-9-20)26(32)22-4-3-5-23(16-22)34-2/h3-5,10,15-20H,6-9,11-14H2,1-2H3
InChIKeyJUIJTIZXRQUBFD-UHFFFAOYSA-N
XLogP4.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848910
N-(3-methoxyphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848723
(2-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848974
cyclobutyl-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848877
2-methyl-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848846
1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848813
N-(2,6-dimethylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848887
methyl 2-[[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carbonyl]amino]propanoate
CID 50848690
[3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848976
2-(4-fluorophenyl)-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
CID 50849005
(3,4-dimethylphenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849106
[5-[1-[(2-fluorophenyl)methylsulfanyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 174355954

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (CID 50848779) is (3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(C)CC5)c4c3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is JUIJTIZXRQUBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-19-6-11-30(12-7-19)27(33)24-18-28-31-15-10-21(17-25(24)31)20-8-13-29(14-9-20)26(32)22-4-3-5-23(16-22)34-2/h3-5,10,15-20H,6-9,11-14H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
(3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 460.58 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50848779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).