N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide

C25H31N5O3 — CID 71714698

IUPACN-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)c4ccccc4)CC3)c2c1
InChIInChI=1S/C25H31N5O3/c1-33-20-8-9-22-21(16-20)23(29-28-22)25(32)27-17-18-10-14-30(15-11-18)13-5-12-26-24(31)19-6-3-2-4-7-19/h2-4,6-9,16,18H,5,10-15,17H2,1H3,(H,26,31)(H,27,32)(H,28,29)
InChIKeyQEDSHPPMMPIPII-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.83
Rot. Bonds9

About N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide

N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide (PubChem CID 71714698) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
PubChem CID71714698
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)c4ccccc4)CC3)c2c1
InChIInChI=1S/C25H31N5O3/c1-33-20-8-9-22-21(16-20)23(29-28-22)25(32)27-17-18-10-14-30(15-11-18)13-5-12-26-24(31)19-6-3-2-4-7-19/h2-4,6-9,16,18H,5,10-15,17H2,1H3,(H,26,31)(H,27,32)(H,28,29)
InChIKeyQEDSHPPMMPIPII-UHFFFAOYSA-N
XLogP2.83
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1r,2s)-2-{3-[(E)-2-{4-[(Dimethylamino)methyl]phenyl}ethenyl]-2h-Indazol-6-Yl}-5'-Methoxyspiro[cyclopropane-1,3'-Indol]-2'(1'h)-One
CID 58486384
(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-[[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56959991
(1R,2S)-5'-methoxy-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)-1H-indazol-6-yl)spiro [cyclopropane-1,3'-indolin]-2'-one
CID 58486186
(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486224
(2'S,3R)-5-methoxy-2'-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67448476
(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 162679119
1H-indazol-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2572779
N-(4-methoxyphenyl)-2H-indazole-3-carboxamide
CID 9412007
2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 11613526
N-(3-methoxyphenyl)-1H-indazole-3-carboxamide
CID 16866354
(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 46968760
(2'S,3R)-2'-[3-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486156

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide (CID 71714698) is N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)c4ccccc4)CC3)c2c1.
What is the InChIKey of N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The InChIKey is QEDSHPPMMPIPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-33-20-8-9-22-21(16-20)23(29-28-22)25(32)27-17-18-10-14-30(15-11-18)13-5-12-26-24(31)19-6-3-2-4-7-19/h2-4,6-9,16,18H,5,10-15,17H2,1H3,(H,26,31)(H,27,32)(H,28,29).
What are the key properties of N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-benzamidopropyl)piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide is sourced from PubChem (CID 71714698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).