N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide

C23H30N4O3 — CID 25366356

IUPACN-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCN2CCCC2=O)cc1
InChIInChI=1S/C23H30N4O3/c1-23(2)13-19(25-21(28)10-12-26-11-4-5-22(26)29)18-15-24-27(20(18)14-23)16-6-8-17(30-3)9-7-16/h6-9,15,19H,4-5,10-14H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyARPJIVHVVXVYPP-LJQANCHMSA-N
MW410.52 g/mol
LogP3.02
Rot. Bonds6

About N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide

N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 25366356) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID25366356
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCN2CCCC2=O)cc1
InChIInChI=1S/C23H30N4O3/c1-23(2)13-19(25-21(28)10-12-26-11-4-5-22(26)29)18-15-24-27(20(18)14-23)16-6-8-17(30-3)9-7-16/h6-9,15,19H,4-5,10-14H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyARPJIVHVVXVYPP-LJQANCHMSA-N
XLogP3.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 42216860
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 42459358
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321368
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321370
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide
CID 51494447
N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42428692
N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 42401773
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 42287055
2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25461195
N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1,2,5-thiadiazole-3-carboxamide
CID 42113242
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methoxyacetamide
CID 42153757
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide
CID 25374120

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (CID 25366356) is N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide is COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCN2CCCC2=O)cc1.
What is the InChIKey of N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is ARPJIVHVVXVYPP-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-23(2)13-19(25-21(28)10-12-26-11-4-5-22(26)29)18-15-24-27(20(18)14-23)16-6-8-17(30-3)9-7-16/h6-9,15,19H,4-5,10-14H2,1-3H3,(H,25,28)/t19-/m1/s1.
What are the key properties of N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 410.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 25366356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).