(4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C17H18N4O2S — CID 164631485

IUPAC(4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccn2ncc(C(=O)N3CCC[C@H]3c3nc(C)cs3)c12
InChIInChI=1S/C17H18N4O2S/c1-11-10-24-16(19-11)13-5-3-7-20(13)17(22)12-9-18-21-8-4-6-14(23-2)15(12)21/h4,6,8-10,13H,3,5,7H2,1-2H3/t13-/m0/s1
InChIKeyDHURXNZUUZTHSN-ZDUSSCGKSA-N
MW342.42 g/mol
LogP3.09
Rot. Bonds3

About (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

(4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 164631485) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID164631485
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccn2ncc(C(=O)N3CCC[C@H]3c3nc(C)cs3)c12
InChIInChI=1S/C17H18N4O2S/c1-11-10-24-16(19-11)13-5-3-7-20(13)17(22)12-9-18-21-8-4-6-14(23-2)15(12)21/h4,6,8-10,13H,3,5,7H2,1-2H3/t13-/m0/s1
InChIKeyDHURXNZUUZTHSN-ZDUSSCGKSA-N
XLogP3.09
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US11613527, Example 109
CID 162779189
US10000507, Example 13
CID 130205106
4-methoxy-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 164635891
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
CID 146457644
1-(4-Fluorophenyl)-3-[2-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]pyridin-2-one
CID 149146979
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170126042
4-[5-Acetyl-2-[6-(6-methylpyridazin-3-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-4-yl]-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 176238840
4-[5-Acetyl-2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-4-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 176238890
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]methanone
CID 2552504
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]methanone
CID 2552509
[2-(1,3-Benzothiazol-2-yl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]methanone
CID 4833109
1-(2-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 50954296

Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 164631485) is (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is COc1cccn2ncc(C(=O)N3CCC[C@H]3c3nc(C)cs3)c12.
What is the InChIKey of (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DHURXNZUUZTHSN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-10-24-16(19-11)13-5-3-7-20(13)17(22)12-9-18-21-8-4-6-14(23-2)15(12)21/h4,6,8-10,13H,3,5,7H2,1-2H3/t13-/m0/s1.
What are the key properties of (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
(4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164631485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).