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

C25H33N5O4 — CID 90019408

IUPAC1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCC1(C)CCC[C@H](NC(=O)[C@@H]2C[C@@]3(CO)C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1
InChIInChI=1S/C25H33N5O4/c1-24(2)9-5-6-15(10-24)27-23(34)18-11-25(14-31)12-19(25)30(18)20(32)13-29-17-8-4-3-7-16(17)21(28-29)22(26)33/h3-4,7-8,15,18-19,31H,5-6,9-14H2,1-2H3,(H2,26,33)(H,27,34)/t15-,18-,19+,25-/m0/s1
InChIKeyFSLFDSWRSLLTIY-OVYRPRKUSA-N
MW467.57 g/mol
LogP1.57
Rot. Bonds6

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

1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 90019408) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID90019408
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Name1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCC1(C)CCC[C@H](NC(=O)[C@@H]2C[C@@]3(CO)C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1
InChIInChI=1S/C25H33N5O4/c1-24(2)9-5-6-15(10-24)27-23(34)18-11-25(14-31)12-19(25)30(18)20(32)13-29-17-8-4-3-7-16(17)21(28-29)22(26)33/h3-4,7-8,15,18-19,31H,5-6,9-14H2,1-2H3,(H2,26,33)(H,27,34)/t15-,18-,19+,25-/m0/s1
InChIKeyFSLFDSWRSLLTIY-OVYRPRKUSA-N
XLogP1.57
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-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,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 90019408) is 1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is CC1(C)CCC[C@H](NC(=O)[C@@H]2C[C@@]3(CO)C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.
What is the InChIKey of 1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is FSLFDSWRSLLTIY-OVYRPRKUSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-24(2)9-5-6-15(10-24)27-23(34)18-11-25(14-31)12-19(25)30(18)20(32)13-29-17-8-4-3-7-16(17)21(28-29)22(26)33/h3-4,7-8,15,18-19,31H,5-6,9-14H2,1-2H3,(H2,26,33)(H,27,34)/t15-,18-,19+,25-/m0/s1.
What are the key properties of 1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 90019408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).