(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C22H20ClN5O2S — CID 44817187

IUPAC(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3nc(-c4cnn5ccccc45)c(Cl)s3)CC2)c1
InChIInChI=1S/C22H20ClN5O2S/c1-30-16-6-4-5-15(13-16)26-9-11-27(12-10-26)22(29)21-25-19(20(23)31-21)17-14-24-28-8-3-2-7-18(17)28/h2-8,13-14H,9-12H2,1H3
InChIKeyIONCKYWVZVTGHH-UHFFFAOYSA-N
MW453.96 g/mol
LogP4.08
Rot. Bonds4

About (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 44817187) has the molecular formula C22H20ClN5O2S and a molecular weight of 453.96 g/mol. Its IUPAC name is (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID44817187
Molecular FormulaC22H20ClN5O2S
Molecular Weight453.96 g/mol
Exact Mass453.10
IUPAC Name(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3nc(-c4cnn5ccccc45)c(Cl)s3)CC2)c1
InChIInChI=1S/C22H20ClN5O2S/c1-30-16-6-4-5-15(13-16)26-9-11-27(12-10-26)22(29)21-25-19(20(23)31-21)17-14-24-28-8-3-2-7-18(17)28/h2-8,13-14H,9-12H2,1H3
InChIKeyIONCKYWVZVTGHH-UHFFFAOYSA-N
XLogP4.08
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.96
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-ethyl-1,3-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 48572330
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391904
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
1-[4-[3-methoxy-4-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 67372205
[4-(3-methoxyphenyl)piperazin-1-yl]-(9-methyl-1-phenylpyrido[3,4-b]indol-3-yl)methanone
CID 118727430
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573949
[1-[(3-chlorophenyl)methyl]indazol-6-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53012817
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270075
(5-chloro-2-nitrophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9089060
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 50764359

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 44817187) is (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3nc(-c4cnn5ccccc45)c(Cl)s3)CC2)c1.
What is the InChIKey of (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is IONCKYWVZVTGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2S/c1-30-16-6-4-5-15(13-16)26-9-11-27(12-10-26)22(29)21-25-19(20(23)31-21)17-14-24-28-8-3-2-7-18(17)28/h2-8,13-14H,9-12H2,1H3.
What are the key properties of (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 453.96 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 44817187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).