N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide

C27H30FN5O2 — CID 166166395

IUPACN-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide
SMILESCC1=NCCN(c2cc(-c3cccc(-c4ccc(N(C=O)CCN(C)C)c(F)c4)c3O)ccn2)C1
InChIInChI=1S/C27H30FN5O2/c1-19-17-32(12-11-29-19)26-16-21(9-10-30-26)23-6-4-5-22(27(23)35)20-7-8-25(24(28)15-20)33(18-34)14-13-31(2)3/h4-10,15-16,18,35H,11-14,17H2,1-3H3
InChIKeyRZNAECANNVEFKE-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.07
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide

N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide (PubChem CID 166166395) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide
PubChem CID166166395
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide
SMILESCC1=NCCN(c2cc(-c3cccc(-c4ccc(N(C=O)CCN(C)C)c(F)c4)c3O)ccn2)C1
InChIInChI=1S/C27H30FN5O2/c1-19-17-32(12-11-29-19)26-16-21(9-10-30-26)23-6-4-5-22(27(23)35)20-7-8-25(24(28)15-20)33(18-34)14-13-31(2)3/h4-10,15-16,18,35H,11-14,17H2,1-3H3
InChIKeyRZNAECANNVEFKE-UHFFFAOYSA-N
XLogP4.07
TPSA72.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide (CID 166166395) is N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide is CC1=NCCN(c2cc(-c3cccc(-c4ccc(N(C=O)CCN(C)C)c(F)c4)c3O)ccn2)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide?
The InChIKey is RZNAECANNVEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2/c1-19-17-32(12-11-29-19)26-16-21(9-10-30-26)23-6-4-5-22(27(23)35)20-7-8-25(24(28)15-20)33(18-34)14-13-31(2)3/h4-10,15-16,18,35H,11-14,17H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide?
N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide has a molecular weight of 475.57 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[2-fluoro-4-[2-hydroxy-3-[2-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-4-pyridinyl]phenyl]phenyl]formamide is sourced from PubChem (CID 166166395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).