(4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C16H24N4O2S — CID 124571790

IUPAC(4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cnn2c1CCCC2
InChIInChI=1S/C16H24N4O2S/c1-16(2,3)18-14(21)13-9-23-10-19(13)15(22)11-8-17-20-7-5-4-6-12(11)20/h8,13H,4-7,9-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeySZFHVKSPQLHYCR-CYBMUJFWSA-N
MW336.46 g/mol
LogP1.65
Rot. Bonds2

About (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 124571790) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID124571790
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cnn2c1CCCC2
InChIInChI=1S/C16H24N4O2S/c1-16(2,3)18-14(21)13-9-23-10-19(13)15(22)11-8-17-20-7-5-4-6-12(11)20/h8,13H,4-7,9-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeySZFHVKSPQLHYCR-CYBMUJFWSA-N
XLogP1.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811
3-[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide
CID 60617912
(4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97318087
[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 119042821
(4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97002178
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 99704160
methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 118139533
N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 146084739
[5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone
CID 128880805
2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 120517737
(4S)-N-tert-butyl-3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 52846319
N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56893899

Frequently Asked Questions

What is the IUPAC name of (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 124571790) is (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cnn2c1CCCC2.
What is the InChIKey of (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SZFHVKSPQLHYCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-16(2,3)18-14(21)13-9-23-10-19(13)15(22)11-8-17-20-7-5-4-6-12(11)20/h8,13H,4-7,9-10H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124571790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).