N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C15H20N4OS — CID 56899586

IUPACN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ncsc1CCCNC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C15H20N4OS/c1-11-14(21-10-17-11)6-4-7-16-15(20)12-9-18-19-8-3-2-5-13(12)19/h9-10H,2-8H2,1H3,(H,16,20)
InChIKeyCDYBDWBHUODWSB-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.35
Rot. Bonds5

About N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 56899586) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID56899586
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ncsc1CCCNC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C15H20N4OS/c1-11-14(21-10-17-11)6-4-7-16-15(20)12-9-18-19-8-3-2-5-13(12)19/h9-10H,2-8H2,1H3,(H,16,20)
InChIKeyCDYBDWBHUODWSB-UHFFFAOYSA-N
XLogP2.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 56899586) is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ncsc1CCCNC(=O)c1cnn2c1CCCC2.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CDYBDWBHUODWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-14(21-10-17-11)6-4-7-16-15(20)12-9-18-19-8-3-2-5-13(12)19/h9-10H,2-8H2,1H3,(H,16,20).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 56899586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).