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

C20H26N4O — CID 86292153

IUPAC(1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(CC2CC2)c2ccccc12
InChIInChI=1S/C20H26N4O/c1-20(2,22-19(25)17-14-9-21-10-15(14)17)18-13-5-3-4-6-16(13)24(23-18)11-12-7-8-12/h3-6,12,14-15,17,21H,7-11H2,1-2H3,(H,22,25)/t14-,15+,17?
InChIKeyLCZPWTYECVZWLC-FKEKPDDDSA-N
MW338.45 g/mol
LogP2.26
Rot. Bonds5

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

(1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86292153) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86292153
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(CC2CC2)c2ccccc12
InChIInChI=1S/C20H26N4O/c1-20(2,22-19(25)17-14-9-21-10-15(14)17)18-13-5-3-4-6-16(13)24(23-18)11-12-7-8-12/h3-6,12,14-15,17,21H,7-11H2,1-2H3,(H,22,25)/t14-,15+,17?
InChIKeyLCZPWTYECVZWLC-FKEKPDDDSA-N
XLogP2.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86292153) is (1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(CC2CC2)c2ccccc12.
What is the InChIKey of (1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LCZPWTYECVZWLC-FKEKPDDDSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2,22-19(25)17-14-9-21-10-15(14)17)18-13-5-3-4-6-16(13)24(23-18)11-12-7-8-12/h3-6,12,14-15,17,21H,7-11H2,1-2H3,(H,22,25)/t14-,15+,17?.
What are the key properties of (1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86292153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).