N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide

C25H31N7O4 — CID 71276484

IUPACN-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide
SMILESCOCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O
InChIInChI=1S/C25H31N7O4/c1-24(2)11-25(3,12-36-4)19(33)18-17(24)15-9-13(5-6-16(15)28-18)21(34)27-14-7-8-32(10-14)22(35)20-29-23(26)31-30-20/h5-6,9,14,28H,7-8,10-12H2,1-4H3,(H,27,34)(H3,26,29,30,31)
InChIKeyPURPAXPUZQPGOR-UHFFFAOYSA-N
MW493.57 g/mol
LogP2.03
Rot. Bonds5

About N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide

N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide (PubChem CID 71276484) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide
PubChem CID71276484
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC NameN-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide
SMILESCOCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O
InChIInChI=1S/C25H31N7O4/c1-24(2)11-25(3,12-36-4)19(33)18-17(24)15-9-13(5-6-16(15)28-18)21(34)27-14-7-8-32(10-14)22(35)20-29-23(26)31-30-20/h5-6,9,14,28H,7-8,10-12H2,1-4H3,(H,27,34)(H3,26,29,30,31)
InChIKeyPURPAXPUZQPGOR-UHFFFAOYSA-N
XLogP2.03
TPSA159.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide?
The IUPAC name of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide (CID 71276484) is N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide?
The canonical SMILES for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide is COCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O.
What is the InChIKey of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide?
The InChIKey is PURPAXPUZQPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-24(2)11-25(3,12-36-4)19(33)18-17(24)15-9-13(5-6-16(15)28-18)21(34)27-14-7-8-32(10-14)22(35)20-29-23(26)31-30-20/h5-6,9,14,28H,7-8,10-12H2,1-4H3,(H,27,34)(H3,26,29,30,31).
What are the key properties of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide?
N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide is sourced from PubChem (CID 71276484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).