N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide

C22H20FN3O2 — CID 130244808

IUPACN-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CC1c1ccc2cnn(C)c2c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C22H20FN3O2/c1-12(21-9-15-7-16(23)5-6-20(15)28-21)25-22(27)18-10-17(18)13-3-4-14-11-24-26(2)19(14)8-13/h3-9,11-12,17-18H,10H2,1-2H3,(H,25,27)/t12-,17?,18?/m1/s1
InChIKeyXDZLDBJHMANDAE-RGZNSWCXSA-N
MW377.42 g/mol
LogP4.44
Rot. Bonds4

About N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide

N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide (PubChem CID 130244808) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide
PubChem CID130244808
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CC1c1ccc2cnn(C)c2c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C22H20FN3O2/c1-12(21-9-15-7-16(23)5-6-20(15)28-21)25-22(27)18-10-17(18)13-3-4-14-11-24-26(2)19(14)8-13/h3-9,11-12,17-18H,10H2,1-2H3,(H,25,27)/t12-,17?,18?/m1/s1
InChIKeyXDZLDBJHMANDAE-RGZNSWCXSA-N
XLogP4.44
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide (CID 130244808) is N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1CC1c1ccc2cnn(C)c2c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is XDZLDBJHMANDAE-RGZNSWCXSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-12(21-9-15-7-16(23)5-6-20(15)28-21)25-22(27)18-10-17(18)13-3-4-14-11-24-26(2)19(14)8-13/h3-9,11-12,17-18H,10H2,1-2H3,(H,25,27)/t12-,17?,18?/m1/s1.
What are the key properties of N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide?
N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-(1-methylindazol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130244808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).