1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

C22H26FN5O3 — CID 72705617

IUPAC1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)=C(F)[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C22H26FN5O3/c1-11(2)19(23)12(3)25-22(31)17-9-13-8-16(13)28(17)18(29)10-27-15-7-5-4-6-14(15)20(26-27)21(24)30/h4-7,12-13,16-17H,8-10H2,1-3H3,(H2,24,30)(H,25,31)/t12-,13-,16-,17+/m1/s1
InChIKeyMDVJAMMSEARGBL-KFZJALRRSA-N
MW427.48 g/mol
LogP1.89
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 72705617) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID72705617
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)=C(F)[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C22H26FN5O3/c1-11(2)19(23)12(3)25-22(31)17-9-13-8-16(13)28(17)18(29)10-27-15-7-5-4-6-14(15)20(26-27)21(24)30/h4-7,12-13,16-17H,8-10H2,1-3H3,(H2,24,30)(H,25,31)/t12-,13-,16-,17+/m1/s1
InChIKeyMDVJAMMSEARGBL-KFZJALRRSA-N
XLogP1.89
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 72705617) is 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is CC(C)=C(F)[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is MDVJAMMSEARGBL-KFZJALRRSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-11(2)19(23)12(3)25-22(31)17-9-13-8-16(13)28(17)18(29)10-27-15-7-5-4-6-14(15)20(26-27)21(24)30/h4-7,12-13,16-17H,8-10H2,1-3H3,(H2,24,30)(H,25,31)/t12-,13-,16-,17+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 72705617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).