N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C18H19N5OS — CID 56883959

IUPACN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1cnn2c1CCCC2
InChIInChI=1S/C18H19N5OS/c24-17(15-11-21-23-9-2-1-5-16(15)23)20-8-6-14-12-25-18(22-14)13-4-3-7-19-10-13/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,20,24)
InChIKeyBIIMVZQNNSMJTH-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 56883959) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID56883959
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1cnn2c1CCCC2
InChIInChI=1S/C18H19N5OS/c24-17(15-11-21-23-9-2-1-5-16(15)23)20-8-6-14-12-25-18(22-14)13-4-3-7-19-10-13/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,20,24)
InChIKeyBIIMVZQNNSMJTH-UHFFFAOYSA-N
XLogP2.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 56883959) is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCCc1csc(-c2cccnc2)n1)c1cnn2c1CCCC2.
What is the InChIKey of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BIIMVZQNNSMJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17(15-11-21-23-9-2-1-5-16(15)23)20-8-6-14-12-25-18(22-14)13-4-3-7-19-10-13/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,20,24).
What are the key properties of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 56883959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).