N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C31H34N6O2S — CID 69202805

IUPACN-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2cc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)sc2C1
InChIInChI=1S/C31H34N6O2S/c1-35-11-13-36(14-12-35)18-20-7-8-23-22(15-20)16-24-29(23)33-34-30(24)27-17-21-9-10-37(19-28(21)40-27)31(38)32-25-5-3-4-6-26(25)39-2/h3-8,15,17H,9-14,16,18-19H2,1-2H3,(H,32,38)(H,33,34)
InChIKeyIEGFENQXMIFVGF-UHFFFAOYSA-N
MW554.72 g/mol
LogP5.06
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 69202805) has the molecular formula C31H34N6O2S and a molecular weight of 554.72 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID69202805
Molecular FormulaC31H34N6O2S
Molecular Weight554.72 g/mol
Exact Mass554.25
IUPAC NameN-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2cc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)sc2C1
InChIInChI=1S/C31H34N6O2S/c1-35-11-13-36(14-12-35)18-20-7-8-23-22(15-20)16-24-29(23)33-34-30(24)27-17-21-9-10-37(19-28(21)40-27)31(38)32-25-5-3-4-6-26(25)39-2/h3-8,15,17H,9-14,16,18-19H2,1-2H3,(H,32,38)(H,33,34)
InChIKeyIEGFENQXMIFVGF-UHFFFAOYSA-N
XLogP5.06
TPSA76.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.72
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide with MolForge

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Related Compounds

[5-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]methylcarbamic acid
CID 69202952
5-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]thiophene-2-carbaldehyde
CID 87732507
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160790
N-[3-(4-benzylpiperazin-1-yl)propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 52656160
3-[5-[3-(2-methoxyethoxy)prop-1-ynyl]thiophen-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazole
CID 11518300
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135575602
4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995002
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 53078506

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 69202805) is N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is COc1ccccc1NC(=O)N1CCc2cc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)sc2C1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is IEGFENQXMIFVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O2S/c1-35-11-13-36(14-12-35)18-20-7-8-23-22(15-20)16-24-29(23)33-34-30(24)27-17-21-9-10-37(19-28(21)40-27)31(38)32-25-5-3-4-6-26(25)39-2/h3-8,15,17H,9-14,16,18-19H2,1-2H3,(H,32,38)(H,33,34).
What are the key properties of N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 554.72 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 69202805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).