(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone

C16H15N5OS — CID 95828804

IUPAC(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCc2[nH]nc(Nc3ccccc3)c2C1
InChIInChI=1S/C16H15N5OS/c22-16(14-9-23-10-17-14)21-7-6-13-12(8-21)15(20-19-13)18-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H2,18,19,20)
InChIKeyPSZYMHHLWKXZNC-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.81
Rot. Bonds3

About (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone

(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 95828804) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID95828804
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCc2[nH]nc(Nc3ccccc3)c2C1
InChIInChI=1S/C16H15N5OS/c22-16(14-9-23-10-17-14)21-7-6-13-12(8-21)15(20-19-13)18-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H2,18,19,20)
InChIKeyPSZYMHHLWKXZNC-UHFFFAOYSA-N
XLogP2.81
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

7-Propyl-3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-1,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 71721528
3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567071
2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24968460
2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968463
2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968464
3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043439
3-[2-[6-(diethylaminomethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127045233
N,N-dimethyl-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127045235
7-propyl-3-(5-pyridin-3-yl-1,3-thiazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127045388
N-[2-(diethylamino)ethyl]-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127045389
N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 127045546
7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127045548

Frequently Asked Questions

What is the IUPAC name of (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone (CID 95828804) is (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCc2[nH]nc(Nc3ccccc3)c2C1.
What is the InChIKey of (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is PSZYMHHLWKXZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-16(14-9-23-10-17-14)21-7-6-13-12(8-21)15(20-19-13)18-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H2,18,19,20).
What are the key properties of (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone?
(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 325.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95828804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).