2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide

C18H23ClN6O — CID 175906184

IUPAC2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1nc(CNc2n[nH]c3cc(Cl)c(C(C)(C)C)cc23)n(C)c1C(N)=O
InChIInChI=1S/C18H23ClN6O/c1-9-15(16(20)26)25(5)14(22-9)8-21-17-10-6-11(18(2,3)4)12(19)7-13(10)23-24-17/h6-7H,8H2,1-5H3,(H2,20,26)(H2,21,23,24)
InChIKeyIVECMSDGGOYMAI-UHFFFAOYSA-N
MW374.88 g/mol
LogP3.27
Rot. Bonds4

About 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide

2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide (PubChem CID 175906184) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide
PubChem CID175906184
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide
SMILESCc1nc(CNc2n[nH]c3cc(Cl)c(C(C)(C)C)cc23)n(C)c1C(N)=O
InChIInChI=1S/C18H23ClN6O/c1-9-15(16(20)26)25(5)14(22-9)8-21-17-10-6-11(18(2,3)4)12(19)7-13(10)23-24-17/h6-7H,8H2,1-5H3,(H2,20,26)(H2,21,23,24)
InChIKeyIVECMSDGGOYMAI-UHFFFAOYSA-N
XLogP3.27
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide?
The IUPAC name of 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide (CID 175906184) is 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide is Cc1nc(CNc2n[nH]c3cc(Cl)c(C(C)(C)C)cc23)n(C)c1C(N)=O.
What is the InChIKey of 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide?
The InChIKey is IVECMSDGGOYMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c1-9-15(16(20)26)25(5)14(22-9)8-21-17-10-6-11(18(2,3)4)12(19)7-13(10)23-24-17/h6-7H,8H2,1-5H3,(H2,20,26)(H2,21,23,24).
What are the key properties of 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide?
2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide has a molecular weight of 374.88 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl]-3,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 175906184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).