N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid

C21H25N5O3S — CID 154914502

IUPACN-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)c1n[nH]c2c1CN(C)CC2.O=CO
InChIInChI=1S/C20H23N5OS.CH2O2/c1-14-18(27-13-21-14)12-25(10-15-6-4-3-5-7-15)20(26)19-16-11-24(2)9-8-17(16)22-23-19;2-1-3/h3-7,13H,8-12H2,1-2H3,(H,22,23);1H,(H,2,3)
InChIKeyRKPMZRIHGPLRKT-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.71
Rot. Bonds5

About N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid

N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid (PubChem CID 154914502) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid.

Molecular Properties

Compound NameN-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid
PubChem CID154914502
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)c1n[nH]c2c1CN(C)CC2.O=CO
InChIInChI=1S/C20H23N5OS.CH2O2/c1-14-18(27-13-21-14)12-25(10-15-6-4-3-5-7-15)20(26)19-16-11-24(2)9-8-17(16)22-23-19;2-1-3/h3-7,13H,8-12H2,1-2H3,(H,22,23);1H,(H,2,3)
InChIKeyRKPMZRIHGPLRKT-UHFFFAOYSA-N
XLogP2.71
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 131929748
N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
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N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63839651
N-ethyl-5-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid?
The IUPAC name of N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid (CID 154914502) is N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid.
What is the SMILES notation for N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid?
The canonical SMILES for N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid is Cc1ncsc1CN(Cc1ccccc1)C(=O)c1n[nH]c2c1CN(C)CC2.O=CO.
What is the InChIKey of N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid?
The InChIKey is RKPMZRIHGPLRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS.CH2O2/c1-14-18(27-13-21-14)12-25(10-15-6-4-3-5-7-15)20(26)19-16-11-24(2)9-8-17(16)22-23-19;2-1-3/h3-7,13H,8-12H2,1-2H3,(H,22,23);1H,(H,2,3).
What are the key properties of N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid?
N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid has a molecular weight of 427.53 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid is sourced from PubChem (CID 154914502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).