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

C25H30ClN5O3 — CID 163463168

IUPAC6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESC=C1[C@@H]2[C@H]1C[C@@H](C(=O)N[C@@H]1CCCC(C)(C)C1)N2C(=O)Cn1nc(C(N)=O)c2ccc(Cl)cc21
InChIInChI=1S/C25H30ClN5O3/c1-13-17-10-19(24(34)28-15-5-4-8-25(2,3)11-15)31(22(13)17)20(32)12-30-18-9-14(26)6-7-16(18)21(29-30)23(27)33/h6-7,9,15,17,19,22H,1,4-5,8,10-12H2,2-3H3,(H2,27,33)(H,28,34)/t15-,17+,19+,22-/m1/s1
InChIKeyBQIUGCNTPLCZPE-TXDFXGTJSA-N
MW484.00 g/mol
LogP3.03
Rot. Bonds5

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

6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 163463168) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID163463168
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESC=C1[C@@H]2[C@H]1C[C@@H](C(=O)N[C@@H]1CCCC(C)(C)C1)N2C(=O)Cn1nc(C(N)=O)c2ccc(Cl)cc21
InChIInChI=1S/C25H30ClN5O3/c1-13-17-10-19(24(34)28-15-5-4-8-25(2,3)11-15)31(22(13)17)20(32)12-30-18-9-14(26)6-7-16(18)21(29-30)23(27)33/h6-7,9,15,17,19,22H,1,4-5,8,10-12H2,2-3H3,(H2,27,33)(H,28,34)/t15-,17+,19+,22-/m1/s1
InChIKeyBQIUGCNTPLCZPE-TXDFXGTJSA-N
XLogP3.03
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 163463168) is 6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is C=C1[C@@H]2[C@H]1C[C@@H](C(=O)N[C@@H]1CCCC(C)(C)C1)N2C(=O)Cn1nc(C(N)=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is BQIUGCNTPLCZPE-TXDFXGTJSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-13-17-10-19(24(34)28-15-5-4-8-25(2,3)11-15)31(22(13)17)20(32)12-30-18-9-14(26)6-7-16(18)21(29-30)23(27)33/h6-7,9,15,17,19,22H,1,4-5,8,10-12H2,2-3H3,(H2,27,33)(H,28,34)/t15-,17+,19+,22-/m1/s1.
What are the key properties of 6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 163463168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).