(1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C22H23FN4O2 — CID 70704963

IUPAC(1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C1[C@H]3CNC[C@@H]13)nn2-c1cccc(F)c1
InChIInChI=1S/C22H23FN4O2/c1-12(2)29-18-8-4-7-17-20(18)21(25-22(28)19-15-10-24-11-16(15)19)26-27(17)14-6-3-5-13(23)9-14/h3-9,12,15-16,19,24H,10-11H2,1-2H3,(H,25,26,28)/t15-,16+,19?
InChIKeyJKIPTFSGMGZHKB-MCPYQZEQSA-N
MW394.45 g/mol
LogP3.36
Rot. Bonds5

About (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 70704963) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID70704963
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name(1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C1[C@H]3CNC[C@@H]13)nn2-c1cccc(F)c1
InChIInChI=1S/C22H23FN4O2/c1-12(2)29-18-8-4-7-17-20(18)21(25-22(28)19-15-10-24-11-16(15)19)26-27(17)14-6-3-5-13(23)9-14/h3-9,12,15-16,19,24H,10-11H2,1-2H3,(H,25,26,28)/t15-,16+,19?
InChIKeyJKIPTFSGMGZHKB-MCPYQZEQSA-N
XLogP3.36
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 70704963) is (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)Oc1cccc2c1c(NC(=O)C1[C@H]3CNC[C@@H]13)nn2-c1cccc(F)c1.
What is the InChIKey of (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is JKIPTFSGMGZHKB-MCPYQZEQSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-12(2)29-18-8-4-7-17-20(18)21(25-22(28)19-15-10-24-11-16(15)19)26-27(17)14-6-3-5-13(23)9-14/h3-9,12,15-16,19,24H,10-11H2,1-2H3,(H,25,26,28)/t15-,16+,19?.
What are the key properties of (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 70704963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).