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

C26H30N4O3 — CID 50848421

IUPAC(2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C26H30N4O3/c1-2-33-24-8-4-3-7-21(24)25(31)29-14-9-19(10-15-29)20-11-16-30-23(17-20)22(18-27-30)26(32)28-12-5-6-13-28/h3-4,7-8,11,16-19H,2,5-6,9-10,12-15H2,1H3
InChIKeySQJKMCIOZNCZIR-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.99
Rot. Bonds5

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

(2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50848421) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID50848421
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name(2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1
InChIInChI=1S/C26H30N4O3/c1-2-33-24-8-4-3-7-21(24)25(31)29-14-9-19(10-15-29)20-11-16-30-23(17-20)22(18-27-30)26(32)28-12-5-6-13-28/h3-4,7-8,11,16-19H,2,5-6,9-10,12-15H2,1H3
InChIKeySQJKMCIOZNCZIR-UHFFFAOYSA-N
XLogP3.99
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25072941
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071385
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
3-[2-(5-Fluoro-3-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-4-propan-2-yloxybenzonitrile
CID 118478986
4-(Cyclopropylmethoxy)-3-[2-(2-methyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
CID 118479222
GlyT1 Inhibitor 1
CID 118479295
3-[2-(2-methylpyridin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
CID 118479305
2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188593
2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188595
2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188598
5-ethyl-2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188599

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (CID 50848421) is (2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is SQJKMCIOZNCZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-2-33-24-8-4-3-7-21(24)25(31)29-14-9-19(10-15-29)20-11-16-30-23(17-20)22(18-27-30)26(32)28-12-5-6-13-28/h3-4,7-8,11,16-19H,2,5-6,9-10,12-15H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 446.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50848421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).