N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C16H21N3O2S — CID 124574775

IUPACN-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@H](C[C@H](O)c1cccs1)NC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C16H21N3O2S/c1-11(9-14(20)15-6-4-8-22-15)18-16(21)12-10-17-19-7-3-2-5-13(12)19/h4,6,8,10-11,14,20H,2-3,5,7,9H2,1H3,(H,18,21)/t11-,14+/m1/s1
InChIKeyUNKBMOXUPWKHFE-RISCZKNCSA-N
MW319.43 g/mol
LogP2.52
Rot. Bonds5

About N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 124574775) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID124574775
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@H](C[C@H](O)c1cccs1)NC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C16H21N3O2S/c1-11(9-14(20)15-6-4-8-22-15)18-16(21)12-10-17-19-7-3-2-5-13(12)19/h4,6,8,10-11,14,20H,2-3,5,7,9H2,1H3,(H,18,21)/t11-,14+/m1/s1
InChIKeyUNKBMOXUPWKHFE-RISCZKNCSA-N
XLogP2.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 124574775) is N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cnn2c1CCCC2.
What is the InChIKey of N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is UNKBMOXUPWKHFE-RISCZKNCSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(9-14(20)15-6-4-8-22-15)18-16(21)12-10-17-19-7-3-2-5-13(12)19/h4,6,8,10-11,14,20H,2-3,5,7,9H2,1H3,(H,18,21)/t11-,14+/m1/s1.
What are the key properties of N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 124574775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).