N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H29N3O2 — CID 133260460

IUPACN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@H]2C2CCCC2)c2c1CCCC2
InChIInChI=1S/C20H29N3O2/c1-23-15-9-5-4-8-13(15)18(22-23)20(24)21-17-14-10-11-25-19(14)16(17)12-6-2-3-7-12/h12,14,16-17,19H,2-11H2,1H3,(H,21,24)/t14-,16+,17+,19-/m1/s1
InChIKeyHOLUGDJYAWEYLV-QSOKESPWSA-N
MW343.47 g/mol
LogP2.62
Rot. Bonds3

About N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 133260460) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID133260460
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@H]2C2CCCC2)c2c1CCCC2
InChIInChI=1S/C20H29N3O2/c1-23-15-9-5-4-8-13(15)18(22-23)20(24)21-17-14-10-11-25-19(14)16(17)12-6-2-3-7-12/h12,14,16-17,19H,2-11H2,1H3,(H,21,24)/t14-,16+,17+,19-/m1/s1
InChIKeyHOLUGDJYAWEYLV-QSOKESPWSA-N
XLogP2.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-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

Related Compounds

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide
CID 91770801
4-acetyl-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91790884
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 133265898
2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide
CID 156609525
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide
CID 156609395
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 91772237
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 133267455
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 91762510
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 91793747
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
CID 133265550
1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 136546225
1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 166283970

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 133260460) is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@H]2C2CCCC2)c2c1CCCC2.
What is the InChIKey of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is HOLUGDJYAWEYLV-QSOKESPWSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-23-15-9-5-4-8-13(15)18(22-23)20(24)21-17-14-10-11-25-19(14)16(17)12-6-2-3-7-12/h12,14,16-17,19H,2-11H2,1H3,(H,21,24)/t14-,16+,17+,19-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 133260460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).