2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide

C21H21N7O2S — CID 56551463

IUPAC2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)C1CC(C(=O)N2CCN(c3nc4cccnc4s3)CC2)=NN1c1ccccc1
InChIInChI=1S/C21H21N7O2S/c22-18(29)17-13-16(25-28(17)14-5-2-1-3-6-14)20(30)26-9-11-27(12-10-26)21-24-15-7-4-8-23-19(15)31-21/h1-8,17H,9-13H2,(H2,22,29)
InChIKeySFZIBYCQHJAOPG-UHFFFAOYSA-N
MW435.51 g/mol
LogP1.46
Rot. Bonds4

About 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide

2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide (PubChem CID 56551463) has the molecular formula C21H21N7O2S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
PubChem CID56551463
Molecular FormulaC21H21N7O2S
Molecular Weight435.51 g/mol
Exact Mass435.15
IUPAC Name2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)C1CC(C(=O)N2CCN(c3nc4cccnc4s3)CC2)=NN1c1ccccc1
InChIInChI=1S/C21H21N7O2S/c22-18(29)17-13-16(25-28(17)14-5-2-1-3-6-14)20(30)26-9-11-27(12-10-26)21-24-15-7-4-8-23-19(15)31-21/h1-8,17H,9-13H2,(H2,22,29)
InChIKeySFZIBYCQHJAOPG-UHFFFAOYSA-N
XLogP1.46
TPSA108.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 36619986
2-phenyl-5-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 56521146
5-methyl-1-phenyl-3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one
CID 56535793
cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
(3S)-5-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 96998888
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535775
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
CID 42889427
(3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 95290092
[4-(3-chlorophenyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 20951988
(4-pyridin-3-yloxyphenyl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535663
5-[4-(1,1-dioxothiolan-3-yl)sulfonylpiperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 55815601
[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551362

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide (CID 56551463) is 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide is NC(=O)C1CC(C(=O)N2CCN(c3nc4cccnc4s3)CC2)=NN1c1ccccc1.
What is the InChIKey of 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is SFZIBYCQHJAOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2S/c22-18(29)17-13-16(25-28(17)14-5-2-1-3-6-14)20(30)26-9-11-27(12-10-26)21-24-15-7-4-8-23-19(15)31-21/h1-8,17H,9-13H2,(H2,22,29).
What are the key properties of 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 56551463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).