N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

C18H17N3O2 — CID 110438934

IUPACN-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C18H17N3O2/c1-23-16-5-3-2-4-14(16)18(8-9-18)17(22)20-13-7-6-12-11-19-21-15(12)10-13/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyVMKCRIOUVUWNPG-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.24
Rot. Bonds4

About N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 110438934) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID110438934
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C18H17N3O2/c1-23-16-5-3-2-4-14(16)18(8-9-18)17(22)20-13-7-6-12-11-19-21-15(12)10-13/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyVMKCRIOUVUWNPG-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 110438934) is N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)Nc2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is VMKCRIOUVUWNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-16-5-3-2-4-14(16)18(8-9-18)17(22)20-13-7-6-12-11-19-21-15(12)10-13/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110438934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).