N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C18H27N7O — CID 91762941

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3n[nH]c4c3CCCC4)C2)n1C
InChIInChI=1S/C18H27N7O/c1-24(2)10-15-21-23-17(25(15)3)11-8-12(9-11)19-18(26)16-13-6-4-5-7-14(13)20-22-16/h11-12H,4-10H2,1-3H3,(H,19,26)(H,20,22)
InChIKeyJDSKSMPVZVJMGU-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.15
Rot. Bonds5

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 91762941) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID91762941
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3n[nH]c4c3CCCC4)C2)n1C
InChIInChI=1S/C18H27N7O/c1-24(2)10-15-21-23-17(25(15)3)11-8-12(9-11)19-18(26)16-13-6-4-5-7-14(13)20-22-16/h11-12H,4-10H2,1-3H3,(H,19,26)(H,20,22)
InChIKeyJDSKSMPVZVJMGU-UHFFFAOYSA-N
XLogP1.15
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 91762941) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CN(C)Cc1nnc(C2CC(NC(=O)c3n[nH]c4c3CCCC4)C2)n1C.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is JDSKSMPVZVJMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-24(2)10-15-21-23-17(25(15)3)11-8-12(9-11)19-18(26)16-13-6-4-5-7-14(13)20-22-16/h11-12H,4-10H2,1-3H3,(H,19,26)(H,20,22).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 91762941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).