N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane

C26H24ClF2N5O3 — CID 145189070

IUPACN-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane
SMILESC.CC1(C(=O)Nc2ccc(F)cc2)CC1.O=CNc1ccc(Oc2ccnc3ncc(Cl)nc23)c(F)c1
InChIInChI=1S/C14H8ClFN4O2.C11H12FNO.CH4/c15-12-6-18-14-13(20-12)11(3-4-17-14)22-10-2-1-8(19-7-21)5-9(10)16;1-11(6-7-11)10(14)13-9-4-2-8(12)3-5-9;/h1-7H,(H,19,21);2-5H,6-7H2,1H3,(H,13,14);1H4
InChIKeyVLZVYCPCNGFMGP-UHFFFAOYSA-N
MW527.96 g/mol
LogP6.38
Rot. Bonds6

About N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane

N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane (PubChem CID 145189070) has the molecular formula C26H24ClF2N5O3 and a molecular weight of 527.96 g/mol. Its IUPAC name is N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane.

Molecular Properties

Compound NameN-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane
PubChem CID145189070
Molecular FormulaC26H24ClF2N5O3
Molecular Weight527.96 g/mol
Exact Mass527.15
IUPAC NameN-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane
SMILESC.CC1(C(=O)Nc2ccc(F)cc2)CC1.O=CNc1ccc(Oc2ccnc3ncc(Cl)nc23)c(F)c1
InChIInChI=1S/C14H8ClFN4O2.C11H12FNO.CH4/c15-12-6-18-14-13(20-12)11(3-4-17-14)22-10-2-1-8(19-7-21)5-9(10)16;1-11(6-7-11)10(14)13-9-4-2-8(12)3-5-9;/h1-7H,(H,19,21);2-5H,6-7H2,1H3,(H,13,14);1H4
InChIKeyVLZVYCPCNGFMGP-UHFFFAOYSA-N
XLogP6.38
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.96
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[2-(3-morpholin-4-ylpropoxy)pyrido[2,3-b]pyrazin-8-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 159470045
1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[(7-prop-2-enimidoyl-1,6-naphthyridin-4-yl)oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 145189088
1-N'-[4-(7-bromoquinolin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155382114
N-[4-[7-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]quinolin-4-yl]oxy-3-fluorophenyl]-1-methylcyclopropane-1-carboxamide
CID 155735330
1-N'-[4-[(7,8-dimethoxy-[1]benzofuro[3,2-b]pyridin-4-yl)oxy]-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 85469786
1-N'-[3-fluoro-4-[6-methoxy-7-(methylamino)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 130443881
1-N'-[3,5-dichloro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 24876679
1-N'-[3-fluoro-4-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 167060433
N'-[3-fluoro-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(4-fluorophenyl)propanediamide
CID 58799048
1-N'-[3-fluoro-4-[2-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 71097796
N'-[3-fluoro-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(4-fluorophenyl)propanediamide;hydrochloride
CID 131726247
1-N'-[3-fluoro-4-[2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 90644959

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane?
The IUPAC name of N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane (CID 145189070) is N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane.
What is the SMILES notation for N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane?
The canonical SMILES for N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane is C.CC1(C(=O)Nc2ccc(F)cc2)CC1.O=CNc1ccc(Oc2ccnc3ncc(Cl)nc23)c(F)c1.
What is the InChIKey of N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane?
The InChIKey is VLZVYCPCNGFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN4O2.C11H12FNO.CH4/c15-12-6-18-14-13(20-12)11(3-4-17-14)22-10-2-1-8(19-7-21)5-9(10)16;1-11(6-7-11)10(14)13-9-4-2-8(12)3-5-9;/h1-7H,(H,19,21);2-5H,6-7H2,1H3,(H,13,14);1H4.
What are the key properties of N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane?
N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane has a molecular weight of 527.96 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloropyrido[2,3-b]pyrazin-8-yl)oxy-3-fluorophenyl]formamide;N-(4-fluorophenyl)-1-methylcyclopropane-1-carboxamide;methane is sourced from PubChem (CID 145189070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).