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

C53H55N11O5 — CID 160750516

IUPACN-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid
SMILESCC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc3c21.O=C(O)c1ccccn1
InChIInChI=1S/C26H26N6O2.C21H24N4O.C6H5NO2/c1-26(2)12-16-13-28-31-22(16)23-21(26)18-11-15(6-7-19(18)30-23)24(33)29-17-8-10-32(14-17)25(34)20-5-3-4-9-27-20;1-21(2)10-13-11-22-25-18(13)19-17(21)15-9-12(7-8-16(15)24-19)20(26)23-14-5-3-4-6-14;8-6(9)5-3-1-2-4-7-5/h3-7,9,11,13,17,30H,8,10,12,14H2,1-2H3,(H,28,31)(H,29,33);7-9,11,14,24H,3-6,10H2,1-2H3,(H,22,25)(H,23,26);1-4H,(H,8,9)
InChIKeyRWTHYPMMQTYKSR-UHFFFAOYSA-N
MW926.09 g/mol
LogP8.28
Rot. Bonds6

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

N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid (PubChem CID 160750516) has the molecular formula C53H55N11O5 and a molecular weight of 926.09 g/mol. Its IUPAC name is N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid
PubChem CID160750516
Molecular FormulaC53H55N11O5
Molecular Weight926.09 g/mol
Exact Mass925.44
IUPAC NameN-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid
SMILESCC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc3c21.O=C(O)c1ccccn1
InChIInChI=1S/C26H26N6O2.C21H24N4O.C6H5NO2/c1-26(2)12-16-13-28-31-22(16)23-21(26)18-11-15(6-7-19(18)30-23)24(33)29-17-8-10-32(14-17)25(34)20-5-3-4-9-27-20;1-21(2)10-13-11-22-25-18(13)19-17(21)15-9-12(7-8-16(15)24-19)20(26)23-14-5-3-4-6-14;8-6(9)5-3-1-2-4-7-5/h3-7,9,11,13,17,30H,8,10,12,14H2,1-2H3,(H,28,31)(H,29,33);7-9,11,14,24H,3-6,10H2,1-2H3,(H,22,25)(H,23,26);1-4H,(H,8,9)
InChIKeyRWTHYPMMQTYKSR-UHFFFAOYSA-N
XLogP8.28
TPSA230.53 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500926.09
LogP ≤ 58.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid with MolForge

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Related Compounds

Nemiralisib Succinate
CID 124220583
1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide
CID 157651286
5-(3-benzylpyrrolidin-3-yl)-N-tert-butyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-indazole;1-[5-(3-benzylpyrrolidin-3-yl)-1H-indol-2-yl]-2,2,2-trifluoroethanone;5-(3-benzylpyrrolidin-3-yl)-N-methyl-1H-indole-2-carboxamide;N-[4-(3-benzylpyrrolidin-3-yl)phenyl]acetamide;(1R)-2-[(3S)-3-(1H-indol-5-yl)pyrrolidin-3-yl]-1-phenylethanol;methyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate
CID 160155175
4-[(3R,4S)-4-[[7-[2-(carboxymethyl)-4-[4-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazol-2-ium-1-yl]-5-methyl-1H-indol-4-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzoic acid
CID 169209682
3-[2-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indol-4-yl]benzoic acid
CID 56947876
4-[2-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indol-4-yl]benzoic acid
CID 56947994
4-[6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indol-4-yl]benzoic acid
CID 56948501
3-[6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indol-4-yl]benzoic acid
CID 56948503
3-[2-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzoic acid
CID 56948504
3-[2-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indol-6-yl]benzoic acid
CID 56948613
4-[2-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzoic acid
CID 57496613
3-[2-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzoic acid
CID 57496614

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid?
The IUPAC name of N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid (CID 160750516) is N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid.
What is the SMILES notation for N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid?
The canonical SMILES for N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid is CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc3c21.O=C(O)c1ccccn1.
What is the InChIKey of N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid?
The InChIKey is RWTHYPMMQTYKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.C21H24N4O.C6H5NO2/c1-26(2)12-16-13-28-31-22(16)23-21(26)18-11-15(6-7-19(18)30-23)24(33)29-17-8-10-32(14-17)25(34)20-5-3-4-9-27-20;1-21(2)10-13-11-22-25-18(13)19-17(21)15-9-12(7-8-16(15)24-19)20(26)23-14-5-3-4-6-14;8-6(9)5-3-1-2-4-7-5/h3-7,9,11,13,17,30H,8,10,12,14H2,1-2H3,(H,28,31)(H,29,33);7-9,11,14,24H,3-6,10H2,1-2H3,(H,22,25)(H,23,26);1-4H,(H,8,9).
What are the key properties of N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid?
N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid has a molecular weight of 926.09 g/mol, XLogP of 8.28, 6 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;pyridine-2-carboxylic acid is sourced from PubChem (CID 160750516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).