(2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

C25H28N4O2 — CID 50848578

IUPAC(2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C25H28N4O2/c1-18-6-2-3-7-21(18)24(30)28-13-8-19(9-14-28)20-10-15-29-23(16-20)22(17-26-29)25(31)27-11-4-5-12-27/h2-3,6-7,10,15-17,19H,4-5,8-9,11-14H2,1H3
InChIKeyHMTSXBGSSVMQJU-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.90
Rot. Bonds3

About (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

(2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50848578) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID50848578
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C25H28N4O2/c1-18-6-2-3-7-21(18)24(30)28-13-8-19(9-14-28)20-10-15-29-23(16-20)22(17-26-29)25(31)27-11-4-5-12-27/h2-3,6-7,10,15-17,19H,4-5,8-9,11-14H2,1H3
InChIKeyHMTSXBGSSVMQJU-UHFFFAOYSA-N
XLogP3.90
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (CID 50848578) is (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is HMTSXBGSSVMQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-6-2-3-7-21(18)24(30)28-13-8-19(9-14-28)20-10-15-29-23(16-20)22(17-26-29)25(31)27-11-4-5-12-27/h2-3,6-7,10,15-17,19H,4-5,8-9,11-14H2,1H3.
What are the key properties of (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
(2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50848578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).