(3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide

C54H58N12O5 — CID 161379472

About (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide

(3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide (PubChem CID 161379472) has the molecular formula C54H58N12O5 and a molecular weight of 955.14 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide.

Molecular Properties

• Compound Name: (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide
• PubChem CID: 161379472
• Molecular Formula: C54H58N12O5
• Molecular Weight: 955.14 g/mol
• Exact Mass: 954.47
• IUPAC Name: (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide
• SMILES: Cn1cc2c(n1)-c1[nH]c3ccc(C(=O)NC4CCN(C(=O)c5cccnc5)C4)cc3c1C(C)(C)C2.Cn1cc2c(n1)-c1[nH]c3ccc(C(=O)O)cc3c1C(C)(C)C2.NC1CCN(C(=O)c2cccnc2)C1
• InChI: InChI=1S/C27H28N6O2.C17H17N3O2.C10H13N3O/c1-27(2)12-18-14-32(3)31-23(18)24-22(27)20-11-16(6-7-21(20)30-24)25(34)29-19-8-10-33(15-19)26(35)17-5-4-9-28-13-17;1-17(2)7-10-8-20(3)19-14(10)15-13(17)11-6-9(16(21)22)4-5-12(11)18-15;11-9-3-5-13(7-9)10(14)8-2-1-4-12-6-8/h4-7,9,11,13-14,19,30H,8,10,12,15H2,1-3H3,(H,29,34);4-6,8,18H,7H2,1-3H3,(H,21,22);1-2,4,6,9H,3,5,7,11H2
• InChIKey: VRNJXCFKCKPKHQ-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 226.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	955.14
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide?

The IUPAC name of (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide (CID 161379472) is (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide.

What is the SMILES notation for (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide?

The canonical SMILES for (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide is Cn1cc2c(n1)-c1[nH]c3ccc(C(=O)NC4CCN(C(=O)c5cccnc5)C4)cc3c1C(C)(C)C2.Cn1cc2c(n1)-c1[nH]c3ccc(C(=O)O)cc3c1C(C)(C)C2.NC1CCN(C(=O)c2cccnc2)C1.

What is the InChIKey of (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide?

The InChIKey is VRNJXCFKCKPKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.C17H17N3O2.C10H13N3O/c1-27(2)12-18-14-32(3)31-23(18)24-22(27)20-11-16(6-7-21(20)30-24)25(34)29-19-8-10-33(15-19)26(35)17-5-4-9-28-13-17;1-17(2)7-10-8-20(3)19-14(10)15-13(17)11-6-9(16(21)22)4-5-12(11)18-15;11-9-3-5-13(7-9)10(14)8-2-1-4-12-6-8/h4-7,9,11,13-14,19,30H,8,10,12,15H2,1-3H3,(H,29,34);4-6,8,18H,7H2,1-3H3,(H,21,22);1-2,4,6,9H,3,5,7,11H2.

What are the key properties of (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide?

(3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide has a molecular weight of 955.14 g/mol, XLogP of 6.80, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide is sourced from PubChem (CID 161379472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).