(3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid

C56H58N12O5 — CID 161330258

About (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid

(3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid (PubChem CID 161330258) has the molecular formula C56H58N12O5 and a molecular weight of 979.16 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid.

Molecular Properties

• Compound Name: (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
• PubChem CID: 161330258
• Molecular Formula: C56H58N12O5
• Molecular Weight: 979.16 g/mol
• Exact Mass: 978.47
• IUPAC Name: (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
• SMILES: CC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)NC5CCN(C(=O)c6cccnc6)C5)cc4c32)C1.CC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)O)cc4c32)C1.NC1CCN(C(=O)c2cccnc2)C1
• InChI: InChI=1S/C28H28N6O2.C18H17N3O2.C10H13N3O/c1-16-10-28(11-16)12-19-14-30-33-24(19)25-23(28)21-9-17(4-5-22(21)32-25)26(35)31-20-6-8-34(15-20)27(36)18-3-2-7-29-13-18;1-9-5-18(6-9)7-11-8-19-21-15(11)16-14(18)12-4-10(17(22)23)2-3-13(12)20-16;11-9-3-5-13(7-9)10(14)8-2-1-4-12-6-8/h2-5,7,9,13-14,16,20,32H,6,8,10-12,15H2,1H3,(H,30,33)(H,31,35);2-4,8-9,20H,5-7H2,1H3,(H,19,21)(H,22,23);1-2,4,6,9H,3,5,7,11H2
• InChIKey: VLHZJXAMGIKZGO-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 247.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	979.16
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?

The IUPAC name of (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid (CID 161330258) is (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid.

What is the SMILES notation for (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?

The canonical SMILES for (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid is CC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)NC5CCN(C(=O)c6cccnc6)C5)cc4c32)C1.CC1CC2(Cc3cn[nH]c3-c3[nH]c4ccc(C(=O)O)cc4c32)C1.NC1CCN(C(=O)c2cccnc2)C1.

What is the InChIKey of (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?

The InChIKey is VLHZJXAMGIKZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2.C18H17N3O2.C10H13N3O/c1-16-10-28(11-16)12-19-14-30-33-24(19)25-23(28)21-9-17(4-5-22(21)32-25)26(35)31-20-6-8-34(15-20)27(36)18-3-2-7-29-13-18;1-9-5-18(6-9)7-11-8-19-21-15(11)16-14(18)12-4-10(17(22)23)2-3-13(12)20-16;11-9-3-5-13(7-9)10(14)8-2-1-4-12-6-8/h2-5,7,9,13-14,16,20,32H,6,8,10-12,15H2,1H3,(H,30,33)(H,31,35);2-4,8-9,20H,5-7H2,1H3,(H,19,21)(H,22,23);1-2,4,6,9H,3,5,7,11H2.

What are the key properties of (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?

(3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid has a molecular weight of 979.16 g/mol, XLogP of 7.56, 5 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;3'-methyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid is sourced from PubChem (CID 161330258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).