1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one

C35H47N7O5 — CID 162219137

IUPAC1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one
SMILESCC(=O)N1CCC(Nc2cc(C(=O)CCC(O)CN3CCc4nc(OCc5ocnc5C)ccc4C3)cc(N3CCCCC3)n2)CC1
InChIInChI=1S/C35H47N7O5/c1-24-32(47-23-36-24)22-46-35-9-6-26-20-40(15-12-30(26)38-35)21-29(44)7-8-31(45)27-18-33(37-28-10-16-41(17-11-28)25(2)43)39-34(19-27)42-13-4-3-5-14-42/h6,9,18-19,23,28-29,44H,3-5,7-8,10-17,20-22H2,1-2H3,(H,37,39)
InChIKeyZTWNUOIOCQXPGA-UHFFFAOYSA-N
MW645.81 g/mol
LogP4.15
Rot. Bonds12

About 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one

1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one (PubChem CID 162219137) has the molecular formula C35H47N7O5 and a molecular weight of 645.81 g/mol. Its IUPAC name is 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one.

Molecular Properties

Compound Name1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one
PubChem CID162219137
Molecular FormulaC35H47N7O5
Molecular Weight645.81 g/mol
Exact Mass645.36
IUPAC Name1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one
SMILESCC(=O)N1CCC(Nc2cc(C(=O)CCC(O)CN3CCc4nc(OCc5ocnc5C)ccc4C3)cc(N3CCCCC3)n2)CC1
InChIInChI=1S/C35H47N7O5/c1-24-32(47-23-36-24)22-46-35-9-6-26-20-40(15-12-30(26)38-35)21-29(44)7-8-31(45)27-18-33(37-28-10-16-41(17-11-28)25(2)43)39-34(19-27)42-13-4-3-5-14-42/h6,9,18-19,23,28-29,44H,3-5,7-8,10-17,20-22H2,1-2H3,(H,37,39)
InChIKeyZTWNUOIOCQXPGA-UHFFFAOYSA-N
XLogP4.15
TPSA137.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-1-[2-[(1-acetylpiperidin-4-yl)amino]-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-hydroxy-5-[5-methyl-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one;sulfane
CID 160815218
2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide
CID 166672403
(4S)-1-[2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)-4-pyridinyl]-4-hydroxy-5-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one
CID 162073738
2-(cyclobutylamino)-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide
CID 166672352
2-[(1-acetylazetidin-3-yl)amino]-N-[3-[7-fluoro-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropyl]-6-piperidin-1-ylpyridine-4-carboxamide
CID 166672484
2-(cyclobutylamino)-N-[2-hydroxy-3-[5-methyl-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxamide
CID 166672339
2-[(1-acetylpiperidin-4-yl)amino]-6-cyclohexyl-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 158413357
1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide
CID 166683503
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 162458116
2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide
CID 162458315
2-[(1-acetylpiperidin-4-yl)amino]-N-[3-[7-fluoro-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropyl]pyridine-4-carboxamide
CID 166672133
2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 166672193

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one?
The IUPAC name of 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one (CID 162219137) is 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one.
What is the SMILES notation for 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one?
The canonical SMILES for 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one is CC(=O)N1CCC(Nc2cc(C(=O)CCC(O)CN3CCc4nc(OCc5ocnc5C)ccc4C3)cc(N3CCCCC3)n2)CC1.
What is the InChIKey of 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one?
The InChIKey is ZTWNUOIOCQXPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N7O5/c1-24-32(47-23-36-24)22-46-35-9-6-26-20-40(15-12-30(26)38-35)21-29(44)7-8-31(45)27-18-33(37-28-10-16-41(17-11-28)25(2)43)39-34(19-27)42-13-4-3-5-14-42/h6,9,18-19,23,28-29,44H,3-5,7-8,10-17,20-22H2,1-2H3,(H,37,39).
What are the key properties of 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one?
1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one has a molecular weight of 645.81 g/mol, XLogP of 4.15, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one is sourced from PubChem (CID 162219137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).