8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one

C59H58N18O5 — CID 160667531

IUPAC8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)nc43)c2=O)cc1.O=c1c2cnc3cc(N4CCNCC4)ncc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCC(O)CC4)nc3c2[nH]n1-c1ccccn1
InChIInChI=1S/C21H22N6O2.C19H18N6O2.C19H18N6O/c1-25-9-11-26(12-10-25)18-8-7-17-20(23-18)19-16(13-22-17)21(28)27(24-19)14-3-5-15(29-2)6-4-14;26-12-6-9-24(10-7-12)16-5-4-14-18(22-16)17-13(11-21-14)19(27)25(23-17)15-3-1-2-8-20-15;26-19-15-12-21-16-10-17(24-8-6-20-7-9-24)22-11-14(16)18(15)23-25(19)13-4-2-1-3-5-13/h3-8,13,24H,9-12H2,1-2H3;1-5,8,11-12,23,26H,6-7,9-10H2;1-5,10-12,20,23H,6-9H2
InChIKeyONHCXAULPVBJRM-UHFFFAOYSA-N
MW1099.23 g/mol
LogP5.31
Rot. Bonds7

About 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one

8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one (PubChem CID 160667531) has the molecular formula C59H58N18O5 and a molecular weight of 1099.23 g/mol. Its IUPAC name is 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one.

Molecular Properties

Compound Name8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
PubChem CID160667531
Molecular FormulaC59H58N18O5
Molecular Weight1099.23 g/mol
Exact Mass1098.48
IUPAC Name8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)nc43)c2=O)cc1.O=c1c2cnc3cc(N4CCNCC4)ncc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCC(O)CC4)nc3c2[nH]n1-c1ccccn1
InChIInChI=1S/C21H22N6O2.C19H18N6O2.C19H18N6O/c1-25-9-11-26(12-10-25)18-8-7-17-20(23-18)19-16(13-22-17)21(28)27(24-19)14-3-5-15(29-2)6-4-14;26-12-6-9-24(10-7-12)16-5-4-14-18(22-16)17-13(11-21-14)19(27)25(23-17)15-3-1-2-8-20-15;26-19-15-12-21-16-10-17(24-8-6-20-7-9-24)22-11-14(16)18(15)23-25(19)13-4-2-1-3-5-13/h3-8,13,24H,9-12H2,1-2H3;1-5,8,11-12,23,26H,6-7,9-10H2;1-5,10-12,20,23H,6-9H2
InChIKeyONHCXAULPVBJRM-UHFFFAOYSA-N
XLogP5.31
TPSA258.05 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.23
LogP ≤ 55.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one with MolForge

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Related Compounds

2-(4-Methoxy-phenyl)-8-(4-methyl-piperazin-1-yl)-2,5-dihydro-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 25125131
ethane;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 145532016
8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-morpholin-4-yl-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157074641
3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 159373885
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-N,N-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-ethylpyridine-3-carboxamide;3-(1H-benzimidazol-2-yl)-2,6,7,8-tetrahydropyrazolo[3,4-b][1,6]naphthyridin-5-one
CID 159753794
2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 161336292
7-bromo-2-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(2-methoxy-4-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 161465301
8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 161951318

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The IUPAC name of 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one (CID 160667531) is 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one.
What is the SMILES notation for 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The canonical SMILES for 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one is COc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)nc43)c2=O)cc1.O=c1c2cnc3cc(N4CCNCC4)ncc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCC(O)CC4)nc3c2[nH]n1-c1ccccn1.
What is the InChIKey of 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The InChIKey is ONHCXAULPVBJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2.C19H18N6O2.C19H18N6O/c1-25-9-11-26(12-10-25)18-8-7-17-20(23-18)19-16(13-22-17)21(28)27(24-19)14-3-5-15(29-2)6-4-14;26-12-6-9-24(10-7-12)16-5-4-14-18(22-16)17-13(11-21-14)19(27)25(23-17)15-3-1-2-8-20-15;26-19-15-12-21-16-10-17(24-8-6-20-7-9-24)22-11-14(16)18(15)23-25(19)13-4-2-1-3-5-13/h3-8,13,24H,9-12H2,1-2H3;1-5,8,11-12,23,26H,6-7,9-10H2;1-5,10-12,20,23H,6-9H2.
What are the key properties of 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one has a molecular weight of 1099.23 g/mol, XLogP of 5.31, 7 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxypiperidin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one is sourced from PubChem (CID 160667531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).