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

C19H21N5OS — CID 56888072

IUPACN,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CCc2[nH]nc(C(=O)N(C)Cc3csc(-c4ccccc4)n3)c2C1
InChIInChI=1S/C19H21N5OS/c1-23-9-8-16-15(11-23)17(22-21-16)19(25)24(2)10-14-12-26-18(20-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,21,22)
InChIKeyAEVFSMZCUUEZQJ-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.79
Rot. Bonds4

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

N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 56888072) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID56888072
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CCc2[nH]nc(C(=O)N(C)Cc3csc(-c4ccccc4)n3)c2C1
InChIInChI=1S/C19H21N5OS/c1-23-9-8-16-15(11-23)17(22-21-16)19(25)24(2)10-14-12-26-18(20-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,21,22)
InChIKeyAEVFSMZCUUEZQJ-UHFFFAOYSA-N
XLogP2.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 56888072) is N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN1CCc2[nH]nc(C(=O)N(C)Cc3csc(-c4ccccc4)n3)c2C1.
What is the InChIKey of N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is AEVFSMZCUUEZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-23-9-8-16-15(11-23)17(22-21-16)19(25)24(2)10-14-12-26-18(20-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,21,22).
What are the key properties of N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 56888072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).