tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride

C61H73ClN8O11 — CID 160657329

IUPACtert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c3c(n2)NC(=O)C(C(N)=O)C3)cc1.Cl.NC(=O)C1Cc2c(C3CCNCC3)cc(-c3c(O)cccc3OCC3CC3)nc2NC1=O
InChIInChI=1S/C37H44N4O7.C24H28N4O4.ClH/c1-37(2,3)48-36(44)41-16-14-24(15-17-41)26-19-29(39-34-27(26)18-28(33(38)42)35(43)40-34)32-30(46-20-22-8-9-22)6-5-7-31(32)47-21-23-10-12-25(45-4)13-11-23;25-22(30)17-10-16-15(14-6-8-26-9-7-14)11-18(27-23(16)28-24(17)31)21-19(29)2-1-3-20(21)32-12-13-4-5-13;/h5-7,10-13,19,22,24,28H,8-9,14-18,20-21H2,1-4H3,(H2,38,42)(H,39,40,43);1-3,11,13-14,17,26,29H,4-10,12H2,(H2,25,30)(H,27,28,31);1H
InChIKeyIBXDULWELPYBFH-UHFFFAOYSA-N
MW1129.75 g/mol
LogP8.56
Rot. Bonds16

About tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride

tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride (PubChem CID 160657329) has the molecular formula C61H73ClN8O11 and a molecular weight of 1129.75 g/mol. Its IUPAC name is tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride
PubChem CID160657329
Molecular FormulaC61H73ClN8O11
Molecular Weight1129.75 g/mol
Exact Mass1128.51
IUPAC Nametert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c3c(n2)NC(=O)C(C(N)=O)C3)cc1.Cl.NC(=O)C1Cc2c(C3CCNCC3)cc(-c3c(O)cccc3OCC3CC3)nc2NC1=O
InChIInChI=1S/C37H44N4O7.C24H28N4O4.ClH/c1-37(2,3)48-36(44)41-16-14-24(15-17-41)26-19-29(39-34-27(26)18-28(33(38)42)35(43)40-34)32-30(46-20-22-8-9-22)6-5-7-31(32)47-21-23-10-12-25(45-4)13-11-23;25-22(30)17-10-16-15(14-6-8-26-9-7-14)11-18(27-23(16)28-24(17)31)21-19(29)2-1-3-20(21)32-12-13-4-5-13;/h5-7,10-13,19,22,24,28H,8-9,14-18,20-21H2,1-4H3,(H2,38,42)(H,39,40,43);1-3,11,13-14,17,26,29H,4-10,12H2,(H2,25,30)(H,27,28,31);1H
InChIKeyIBXDULWELPYBFH-UHFFFAOYSA-N
XLogP8.56
TPSA268.88 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001129.75
LogP ≤ 58.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride?
The IUPAC name of tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride (CID 160657329) is tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride?
The canonical SMILES for tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride is COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c3c(n2)NC(=O)C(C(N)=O)C3)cc1.Cl.NC(=O)C1Cc2c(C3CCNCC3)cc(-c3c(O)cccc3OCC3CC3)nc2NC1=O.
What is the InChIKey of tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride?
The InChIKey is IBXDULWELPYBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N4O7.C24H28N4O4.ClH/c1-37(2,3)48-36(44)41-16-14-24(15-17-41)26-19-29(39-34-27(26)18-28(33(38)42)35(43)40-34)32-30(46-20-22-8-9-22)6-5-7-31(32)47-21-23-10-12-25(45-4)13-11-23;25-22(30)17-10-16-15(14-6-8-26-9-7-14)11-18(27-23(16)28-24(17)31)21-19(29)2-1-3-20(21)32-12-13-4-5-13;/h5-7,10-13,19,22,24,28H,8-9,14-18,20-21H2,1-4H3,(H2,38,42)(H,39,40,43);1-3,11,13-14,17,26,29H,4-10,12H2,(H2,25,30)(H,27,28,31);1H.
What are the key properties of tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride?
tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride has a molecular weight of 1129.75 g/mol, XLogP of 8.56, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-carbamoyl-2-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl]piperidine-1-carboxylate;7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-4-yl-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 160657329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).