N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen

C27H34FN5O3 — CID 161233672

IUPACN-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen
SMILESCCCc1cnc(N2CCC(Oc3ccn(-c4ccc(NC(=O)C(C)C)c(F)c4)c(=O)c3)CC2)nc1.[H][H]
InChIInChI=1S/C27H32FN5O3.H2/c1-4-5-19-16-29-27(30-17-19)32-11-8-21(9-12-32)36-22-10-13-33(25(34)15-22)20-6-7-24(23(28)14-20)31-26(35)18(2)3;/h6-7,10,13-18,21H,4-5,8-9,11-12H2,1-3H3,(H,31,35);1H
InChIKeyUZBXRDUVSGYICK-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.61
Rot. Bonds8

About N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen

N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen (PubChem CID 161233672) has the molecular formula C27H34FN5O3 and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen
PubChem CID161233672
Molecular FormulaC27H34FN5O3
Molecular Weight495.60 g/mol
Exact Mass495.26
IUPAC NameN-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen
SMILESCCCc1cnc(N2CCC(Oc3ccn(-c4ccc(NC(=O)C(C)C)c(F)c4)c(=O)c3)CC2)nc1.[H][H]
InChIInChI=1S/C27H32FN5O3.H2/c1-4-5-19-16-29-27(30-17-19)32-11-8-21(9-12-32)36-22-10-13-33(25(34)15-22)20-6-7-24(23(28)14-20)31-26(35)18(2)3;/h6-7,10,13-18,21H,4-5,8-9,11-12H2,1-3H3,(H,31,35);1H
InChIKeyUZBXRDUVSGYICK-UHFFFAOYSA-N
XLogP4.61
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-[4-(3,3,3-trifluoro-2-oxopropyl)phenyl]pyridin-2-one
CID 58458104
1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 57468392
1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 57468407
1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 72549726
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one
CID 57468389
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204037
[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 54596883
1-(3-fluoro-4-isocyanophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
CID 58483085
2-[2-fluoro-4-[3-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]propoxy]phenyl]-1-[3-[[[(2S,3R,4R)-2,3,4,5,6-pentahydroxyhexyl]amino]methyl]azetidin-1-yl]ethanone
CID 156723824
2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine
CID 154460847
ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 66881688
propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 57468424

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen (CID 161233672) is N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen is CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(NC(=O)C(C)C)c(F)c4)c(=O)c3)CC2)nc1.[H][H].
What is the InChIKey of N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is UZBXRDUVSGYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3.H2/c1-4-5-19-16-29-27(30-17-19)32-11-8-21(9-12-32)36-22-10-13-33(25(34)15-22)20-6-7-24(23(28)14-20)31-26(35)18(2)3;/h6-7,10,13-18,21H,4-5,8-9,11-12H2,1-3H3,(H,31,35);1H.
What are the key properties of N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen?
N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 495.60 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 161233672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).