N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide

C30H34N4O2 — CID 145000099

IUPACN-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide
SMILESC[C@H](c1ccc(C(=O)NC2CCCC2)cc1)N1Cc2cc(-c3n[nH]c4c3CC(C)(C)C4)ccc2C1=O
InChIInChI=1S/C30H34N4O2/c1-18(19-8-10-20(11-9-19)28(35)31-23-6-4-5-7-23)34-17-22-14-21(12-13-24(22)29(34)36)27-25-15-30(2,3)16-26(25)32-33-27/h8-14,18,23H,4-7,15-17H2,1-3H3,(H,31,35)(H,32,33)/t18-/m1/s1
InChIKeyROPWXIUKUYZHHR-GOSISDBHSA-N
MW482.63 g/mol
LogP5.59
Rot. Bonds5

About N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide

N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide (PubChem CID 145000099) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide
PubChem CID145000099
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide
SMILESC[C@H](c1ccc(C(=O)NC2CCCC2)cc1)N1Cc2cc(-c3n[nH]c4c3CC(C)(C)C4)ccc2C1=O
InChIInChI=1S/C30H34N4O2/c1-18(19-8-10-20(11-9-19)28(35)31-23-6-4-5-7-23)34-17-22-14-21(12-13-24(22)29(34)36)27-25-15-30(2,3)16-26(25)32-33-27/h8-14,18,23H,4-7,15-17H2,1-3H3,(H,31,35)(H,32,33)/t18-/m1/s1
InChIKeyROPWXIUKUYZHHR-GOSISDBHSA-N
XLogP5.59
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide (CID 145000099) is N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide is C[C@H](c1ccc(C(=O)NC2CCCC2)cc1)N1Cc2cc(-c3n[nH]c4c3CC(C)(C)C4)ccc2C1=O.
What is the InChIKey of N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide?
The InChIKey is ROPWXIUKUYZHHR-GOSISDBHSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-18(19-8-10-20(11-9-19)28(35)31-23-6-4-5-7-23)34-17-22-14-21(12-13-24(22)29(34)36)27-25-15-30(2,3)16-26(25)32-33-27/h8-14,18,23H,4-7,15-17H2,1-3H3,(H,31,35)(H,32,33)/t18-/m1/s1.
What are the key properties of N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide?
N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide has a molecular weight of 482.63 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide is sourced from PubChem (CID 145000099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).