2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide

C24H28N4O2 — CID 118018094

IUPAC2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide
SMILESCCC(OC)C12CNCCC1(c1ccc(-n3cc4cccc(C(N)=O)c4n3)cc1)C2
InChIInChI=1S/C24H28N4O2/c1-3-20(30-2)24-14-23(24,11-12-26-15-24)17-7-9-18(10-8-17)28-13-16-5-4-6-19(22(25)29)21(16)27-28/h4-10,13,20,26H,3,11-12,14-15H2,1-2H3,(H2,25,29)
InChIKeyGPVIELWHULUCFE-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.17
Rot. Bonds6

About 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide

2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide (PubChem CID 118018094) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide
PubChem CID118018094
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide
SMILESCCC(OC)C12CNCCC1(c1ccc(-n3cc4cccc(C(N)=O)c4n3)cc1)C2
InChIInChI=1S/C24H28N4O2/c1-3-20(30-2)24-14-23(24,11-12-26-15-24)17-7-9-18(10-8-17)28-13-16-5-4-6-19(22(25)29)21(16)27-28/h4-10,13,20,26H,3,11-12,14-15H2,1-2H3,(H2,25,29)
InChIKeyGPVIELWHULUCFE-UHFFFAOYSA-N
XLogP3.17
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide (CID 118018094) is 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide is CCC(OC)C12CNCCC1(c1ccc(-n3cc4cccc(C(N)=O)c4n3)cc1)C2.
What is the InChIKey of 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide?
The InChIKey is GPVIELWHULUCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-20(30-2)24-14-23(24,11-12-26-15-24)17-7-9-18(10-8-17)28-13-16-5-4-6-19(22(25)29)21(16)27-28/h4-10,13,20,26H,3,11-12,14-15H2,1-2H3,(H2,25,29).
What are the key properties of 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide?
2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-methoxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 118018094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).