1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide

C24H30FN5O3 — CID 72721883

IUPAC1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide
SMILESCC1(C)CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccc(F)cc32)C1
InChIInChI=1S/C24H30FN5O3/c1-24(2)7-3-4-15(11-24)27-23(33)19-9-13-8-17(13)30(19)20(31)12-29-18-10-14(25)5-6-16(18)21(28-29)22(26)32/h5-6,10,13,15,17,19H,3-4,7-9,11-12H2,1-2H3,(H2,26,32)(H,27,33)/t13-,15-,17-,19+/m1/s1
InChIKeyGSHRFKNCTLFCBE-VWMOJTHMSA-N
MW455.53 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide (PubChem CID 72721883) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide
PubChem CID72721883
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide
SMILESCC1(C)CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccc(F)cc32)C1
InChIInChI=1S/C24H30FN5O3/c1-24(2)7-3-4-15(11-24)27-23(33)19-9-13-8-17(13)30(19)20(31)12-29-18-10-14(25)5-6-16(18)21(28-29)22(26)32/h5-6,10,13,15,17,19H,3-4,7-9,11-12H2,1-2H3,(H2,26,32)(H,27,33)/t13-,15-,17-,19+/m1/s1
InChIKeyGSHRFKNCTLFCBE-VWMOJTHMSA-N
XLogP2.35
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide (CID 72721883) is 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide is CC1(C)CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccc(F)cc32)C1.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide?
The InChIKey is GSHRFKNCTLFCBE-VWMOJTHMSA-N. The full InChI is InChI=1S/C24H30FN5O3/c1-24(2)7-3-4-15(11-24)27-23(33)19-9-13-8-17(13)30(19)20(31)12-29-18-10-14(25)5-6-16(18)21(28-29)22(26)32/h5-6,10,13,15,17,19H,3-4,7-9,11-12H2,1-2H3,(H2,26,32)(H,27,33)/t13-,15-,17-,19+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 2.35, 5 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-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-fluoroindazole-3-carboxamide is sourced from PubChem (CID 72721883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).