N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide

C25H30FN5O2 — CID 172533317

IUPACN-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)N(c3nccc4c(F)ccc(C)c34)C3CCCNC3)CC2)on1
InChIInChI=1S/C25H30FN5O2/c1-16-5-6-21(26)20-7-11-28-24(23(16)20)31(19-4-3-10-27-15-19)25(32)30-12-8-18(9-13-30)22-14-17(2)29-33-22/h5-7,11,14,18-19,27H,3-4,8-10,12-13,15H2,1-2H3
InChIKeyOMJCZRZAGAVSMW-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.54
Rot. Bonds3

About N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide

N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide (PubChem CID 172533317) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide
PubChem CID172533317
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC NameN-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)N(c3nccc4c(F)ccc(C)c34)C3CCCNC3)CC2)on1
InChIInChI=1S/C25H30FN5O2/c1-16-5-6-21(26)20-7-11-28-24(23(16)20)31(19-4-3-10-27-15-19)25(32)30-12-8-18(9-13-30)22-14-17(2)29-33-22/h5-7,11,14,18-19,27H,3-4,8-10,12-13,15H2,1-2H3
InChIKeyOMJCZRZAGAVSMW-UHFFFAOYSA-N
XLogP4.54
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide (CID 172533317) is N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide is Cc1cc(C2CCN(C(=O)N(c3nccc4c(F)ccc(C)c34)C3CCCNC3)CC2)on1.
What is the InChIKey of N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide?
The InChIKey is OMJCZRZAGAVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-16-5-6-21(26)20-7-11-28-24(23(16)20)31(19-4-3-10-27-15-19)25(32)30-12-8-18(9-13-30)22-14-17(2)29-33-22/h5-7,11,14,18-19,27H,3-4,8-10,12-13,15H2,1-2H3.
What are the key properties of N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide?
N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-piperidin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 172533317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).