N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C26H29FN4O2 — CID 20954148

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C26H29FN4O2/c1-33-20-7-9-21-18(14-20)6-8-22-24(21)29-30-25(22)26(32)28-15-17-10-12-31(13-11-17)16-19-4-2-3-5-23(19)27/h2-5,7,9,14,17H,6,8,10-13,15-16H2,1H3,(H,28,32)(H,29,30)
InChIKeyZCZCXFQBAXXDFA-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.96
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20954148) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20954148
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C26H29FN4O2/c1-33-20-7-9-21-18(14-20)6-8-22-24(21)29-30-25(22)26(32)28-15-17-10-12-31(13-11-17)16-19-4-2-3-5-23(19)27/h2-5,7,9,14,17H,6,8,10-13,15-16H2,1H3,(H,28,32)(H,29,30)
InChIKeyZCZCXFQBAXXDFA-UHFFFAOYSA-N
XLogP3.96
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954136
N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954051
N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954009
N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 131923524
(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
CID 46343915
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786241
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46343914
1-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111789171
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186556

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20954148) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is ZCZCXFQBAXXDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-33-20-7-9-21-18(14-20)6-8-22-24(21)29-30-25(22)26(32)28-15-17-10-12-31(13-11-17)16-19-4-2-3-5-23(19)27/h2-5,7,9,14,17H,6,8,10-13,15-16H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20954148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).