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

C16H16N6OS — CID 56894995

IUPACN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCc1csc(-c2cnccn2)n1)c1cnn2c1CCCC2
InChIInChI=1S/C16H16N6OS/c23-15(12-8-20-22-6-2-1-3-14(12)22)19-7-11-10-24-16(21-11)13-9-17-4-5-18-13/h4-5,8-10H,1-3,6-7H2,(H,19,23)
InChIKeyZHPOJATVUFIPRJ-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.06
Rot. Bonds4

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

N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 56894995) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID56894995
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCc1csc(-c2cnccn2)n1)c1cnn2c1CCCC2
InChIInChI=1S/C16H16N6OS/c23-15(12-8-20-22-6-2-1-3-14(12)22)19-7-11-10-24-16(21-11)13-9-17-4-5-18-13/h4-5,8-10H,1-3,6-7H2,(H,19,23)
InChIKeyZHPOJATVUFIPRJ-UHFFFAOYSA-N
XLogP2.06
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 56894995) is N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCc1csc(-c2cnccn2)n1)c1cnn2c1CCCC2.
What is the InChIKey of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZHPOJATVUFIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-15(12-8-20-22-6-2-1-3-14(12)22)19-7-11-10-24-16(21-11)13-9-17-4-5-18-13/h4-5,8-10H,1-3,6-7H2,(H,19,23).
What are the key properties of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 56894995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).