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

C17H18N6OS — CID 56908721

IUPACN-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)c1cnn2c1CCCC2
InChIInChI=1S/C17H18N6OS/c24-16(13-10-21-23-9-2-1-4-14(13)23)20-8-5-12-11-25-17(22-12)15-18-6-3-7-19-15/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,20,24)
InChIKeyAVMKBZNUXMFQHL-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.11
Rot. Bonds5

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

N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 56908721) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID56908721
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)c1cnn2c1CCCC2
InChIInChI=1S/C17H18N6OS/c24-16(13-10-21-23-9-2-1-4-14(13)23)20-8-5-12-11-25-17(22-12)15-18-6-3-7-19-15/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,20,24)
InChIKeyAVMKBZNUXMFQHL-UHFFFAOYSA-N
XLogP2.11
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrimidin-2-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-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 56908721) is N-[2-(2-pyrimidin-2-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-pyrimidin-2-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-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCCc1csc(-c2ncccn2)n1)c1cnn2c1CCCC2.
What is the InChIKey of N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is AVMKBZNUXMFQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(13-10-21-23-9-2-1-4-14(13)23)20-8-5-12-11-25-17(22-12)15-18-6-3-7-19-15/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,20,24).
What are the key properties of N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 56908721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).