5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide

C24H26N6O3 — CID 71276413

IUPAC5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
SMILESCC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21
InChIInChI=1S/C24H26N6O3/c1-23(2)11-24(6-7-24)19(31)18-17(23)15-9-13(3-4-16(15)28-18)21(32)27-14-5-8-30(10-14)22(33)20-25-12-26-29-20/h3-4,9,12,14,28H,5-8,10-11H2,1-2H3,(H,27,32)(H,25,26,29)
InChIKeyRSBWOGYUAHAGET-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.57
Rot. Bonds3

About 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide

5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide (PubChem CID 71276413) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
PubChem CID71276413
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
SMILESCC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21
InChIInChI=1S/C24H26N6O3/c1-23(2)11-24(6-7-24)19(31)18-17(23)15-9-13(3-4-16(15)28-18)21(32)27-14-5-8-30(10-14)22(33)20-25-12-26-29-20/h3-4,9,12,14,28H,5-8,10-11H2,1-2H3,(H,27,32)(H,25,26,29)
InChIKeyRSBWOGYUAHAGET-UHFFFAOYSA-N
XLogP2.57
TPSA123.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide?
The IUPAC name of 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide (CID 71276413) is 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide.
What is the SMILES notation for 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide?
The canonical SMILES for 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide is CC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21.
What is the InChIKey of 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide?
The InChIKey is RSBWOGYUAHAGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-23(2)11-24(6-7-24)19(31)18-17(23)15-9-13(3-4-16(15)28-18)21(32)27-14-5-8-30(10-14)22(33)20-25-12-26-29-20/h3-4,9,12,14,28H,5-8,10-11H2,1-2H3,(H,27,32)(H,25,26,29).
What are the key properties of 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide?
5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide is sourced from PubChem (CID 71276413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).