3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide

C25H26N8O2 — CID 136609433

IUPAC3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide
SMILESCC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)NC5CCN(C(=O)c6ncn[nH]6)C5)cc4c32)C1
InChIInChI=1S/C25H26N8O2/c1-13-7-25(8-13)9-15-10-27-31-20(15)21-19(25)17-6-14(2-3-18(17)30-21)23(34)29-16-4-5-33(11-16)24(35)22-26-12-28-32-22/h2-3,6,10,12-13,16,30H,4-5,7-9,11H2,1H3,(H,27,31)(H,29,34)(H,26,28,32)
InChIKeyKXPMHIQTTVMUSH-UHFFFAOYSA-N
MW470.54 g/mol
LogP2.54
Rot. Bonds3

About 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide

3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide (PubChem CID 136609433) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide.

Molecular Properties

Compound Name3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide
PubChem CID136609433
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide
SMILESCC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)NC5CCN(C(=O)c6ncn[nH]6)C5)cc4c32)C1
InChIInChI=1S/C25H26N8O2/c1-13-7-25(8-13)9-15-10-27-31-20(15)21-19(25)17-6-14(2-3-18(17)30-21)23(34)29-16-4-5-33(11-16)24(35)22-26-12-28-32-22/h2-3,6,10,12-13,16,30H,4-5,7-9,11H2,1H3,(H,27,31)(H,29,34)(H,26,28,32)
InChIKeyKXPMHIQTTVMUSH-UHFFFAOYSA-N
XLogP2.54
TPSA135.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide?
The IUPAC name of 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide (CID 136609433) is 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide.
What is the SMILES notation for 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide?
The canonical SMILES for 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide is CC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)NC5CCN(C(=O)c6ncn[nH]6)C5)cc4c32)C1.
What is the InChIKey of 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide?
The InChIKey is KXPMHIQTTVMUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-13-7-25(8-13)9-15-10-27-31-20(15)21-19(25)17-6-14(2-3-18(17)30-21)23(34)29-16-4-5-33(11-16)24(35)22-26-12-28-32-22/h2-3,6,10,12-13,16,30H,4-5,7-9,11H2,1H3,(H,27,31)(H,29,34)(H,26,28,32).
What are the key properties of 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide?
3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 2.54, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide is sourced from PubChem (CID 136609433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).