N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid

C55H55N11O5 — CID 157084854

About N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid

N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid (PubChem CID 157084854) has the molecular formula C55H55N11O5 and a molecular weight of 950.12 g/mol. Its IUPAC name is N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid
• PubChem CID: 157084854
• Molecular Formula: C55H55N11O5
• Molecular Weight: 950.12 g/mol
• Exact Mass: 949.44
• IUPAC Name: N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid
• SMILES: O=C(NC1CCCC1)c1ccc2[nH]c3c(c2c1)C1(CCC1)Cc1cn[nH]c1-3.O=C(NC1CCN(C(=O)c2ccccn2)C1)c1ccc2[nH]c3c(c2c1)C1(CCC1)Cc1cn[nH]c1-3.O=C(O)c1ccccn1
• InChI: InChI=1S/C27H26N6O2.C22H24N4O.C6H5NO2/c34-25(30-18-7-11-33(15-18)26(35)21-4-1-2-10-28-21)16-5-6-20-19(12-16)22-24(31-20)23-17(14-29-32-23)13-27(22)8-3-9-27;27-21(24-15-4-1-2-5-15)13-6-7-17-16(10-13)18-20(25-17)19-14(12-23-26-19)11-22(18)8-3-9-22;8-6(9)5-3-1-2-4-7-5/h1-2,4-6,10,12,14,18,31H,3,7-9,11,13,15H2,(H,29,32)(H,30,34);6-7,10,12,15,25H,1-5,8-9,11H2,(H,23,26)(H,24,27);1-4H,(H,8,9)
• InChIKey: ADYXADPKWWESAY-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 230.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	950.12
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid?

The IUPAC name of N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid (CID 157084854) is N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid.

What is the SMILES notation for N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid?

The canonical SMILES for N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid is O=C(NC1CCCC1)c1ccc2[nH]c3c(c2c1)C1(CCC1)Cc1cn[nH]c1-3.O=C(NC1CCN(C(=O)c2ccccn2)C1)c1ccc2[nH]c3c(c2c1)C1(CCC1)Cc1cn[nH]c1-3.O=C(O)c1ccccn1.

What is the InChIKey of N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid?

The InChIKey is ADYXADPKWWESAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.C22H24N4O.C6H5NO2/c34-25(30-18-7-11-33(15-18)26(35)21-4-1-2-10-28-21)16-5-6-20-19(12-16)22-24(31-20)23-17(14-29-32-23)13-27(22)8-3-9-27;27-21(24-15-4-1-2-5-15)13-6-7-17-16(10-13)18-20(25-17)19-14(12-23-26-19)11-22(18)8-3-9-22;8-6(9)5-3-1-2-4-7-5/h1-2,4-6,10,12,14,18,31H,3,7-9,11,13,15H2,(H,29,32)(H,30,34);6-7,10,12,15,25H,1-5,8-9,11H2,(H,23,26)(H,24,27);1-4H,(H,8,9).

What are the key properties of N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid?

N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid has a molecular weight of 950.12 g/mol, XLogP of 8.56, 6 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid is sourced from PubChem (CID 157084854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).