N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone

C39H50FN5O4 — CID 143900862

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1.CCCC1CCC(NCc2cc(C)n(C)n2)CC1
InChIInChI=1S/C24H23FN2O4.C15H27N3/c1-16(28)23-13-19(25)14-26-24(23)31-21-4-2-3-17(12-21)22-6-5-20(29)11-18(22)15-27-7-9-30-10-8-27;1-4-5-13-6-8-14(9-7-13)16-11-15-10-12(2)18(3)17-15/h2-6,11-14,29H,7-10,15H2,1H3;10,13-14,16H,4-9,11H2,1-3H3
InChIKeyMGYDFCGYBDRORH-UHFFFAOYSA-N
MW671.86 g/mol
LogP7.60
Rot. Bonds11

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone

N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone (PubChem CID 143900862) has the molecular formula C39H50FN5O4 and a molecular weight of 671.86 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone
PubChem CID143900862
Molecular FormulaC39H50FN5O4
Molecular Weight671.86 g/mol
Exact Mass671.38
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1.CCCC1CCC(NCc2cc(C)n(C)n2)CC1
InChIInChI=1S/C24H23FN2O4.C15H27N3/c1-16(28)23-13-19(25)14-26-24(23)31-21-4-2-3-17(12-21)22-6-5-20(29)11-18(22)15-27-7-9-30-10-8-27;1-4-5-13-6-8-14(9-7-13)16-11-15-10-12(2)18(3)17-15/h2-6,11-14,29H,7-10,15H2,1H3;10,13-14,16H,4-9,11H2,1-3H3
InChIKeyMGYDFCGYBDRORH-UHFFFAOYSA-N
XLogP7.60
TPSA101.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.86
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone (CID 143900862) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone is CC(=O)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1.CCCC1CCC(NCc2cc(C)n(C)n2)CC1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone?
The InChIKey is MGYDFCGYBDRORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4.C15H27N3/c1-16(28)23-13-19(25)14-26-24(23)31-21-4-2-3-17(12-21)22-6-5-20(29)11-18(22)15-27-7-9-30-10-8-27;1-4-5-13-6-8-14(9-7-13)16-11-15-10-12(2)18(3)17-15/h2-6,11-14,29H,7-10,15H2,1H3;10,13-14,16H,4-9,11H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone has a molecular weight of 671.86 g/mol, XLogP of 7.60, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine;1-[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-3-pyridinyl]ethanone is sourced from PubChem (CID 143900862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).