4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide

C25H24F2N6O2 — CID 174252789

IUPAC4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide
SMILESCCc1c(F)ccc2cc(O)cc(-c3[nH]c(=O)c(/C(N)=N/C(C)c4cccnc4N)c(N)c3F)c12
InChIInChI=1S/C25H24F2N6O2/c1-3-14-17(26)7-6-12-9-13(34)10-16(18(12)14)22-20(27)21(28)19(25(35)33-22)24(30)32-11(2)15-5-4-8-31-23(15)29/h4-11,34H,3H2,1-2H3,(H2,29,31)(H2,30,32)(H3,28,33,35)
InChIKeyFWGRSSZWVCHUED-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.77
Rot. Bonds5

About 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide

4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 174252789) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID174252789
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide
SMILESCCc1c(F)ccc2cc(O)cc(-c3[nH]c(=O)c(/C(N)=N/C(C)c4cccnc4N)c(N)c3F)c12
InChIInChI=1S/C25H24F2N6O2/c1-3-14-17(26)7-6-12-9-13(34)10-16(18(12)14)22-20(27)21(28)19(25(35)33-22)24(30)32-11(2)15-5-4-8-31-23(15)29/h4-11,34H,3H2,1-2H3,(H2,29,31)(H2,30,32)(H3,28,33,35)
InChIKeyFWGRSSZWVCHUED-UHFFFAOYSA-N
XLogP3.77
TPSA156.40 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide with MolForge

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Related Compounds

4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 174251575
4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 174251643
4-[1-(2-amino-3-pyridinyl)ethylamino]-7-(8-ethyl-3-hydroxy-7-methylnaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 174252403
4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethenyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 174252357
4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol
CID 175816309
4-[(11S)-13-[(1R)-1-(2-amino-3-pyridinyl)ethyl]-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-11-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 171525514
4-[13-[(1R)-1-(2-amino-3-pyridinyl)ethyl]-6-fluoro-3-[(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methoxy]-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 171619493
1-ethyl-2-fluoro-8-propan-2-ylnaphthalene;5-methylsulfanyl-4-propan-2-ylnaphthalen-2-ol
CID 164878340
4-[8-[(2-amino-3-pyridinyl)methyl]-16-chloro-14-fluoro-11-methoxy-2,5-dioxa-8,10,12-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-15-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 177217114
4-tert-butyl-5-ethyl-6-fluoronaphthalen-2-ol
CID 169009475
5-ethyl-6-fluoro-4-(8-fluoro-2-methyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
CID 171786241
5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167120259

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide (CID 174252789) is 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide is CCc1c(F)ccc2cc(O)cc(-c3[nH]c(=O)c(/C(N)=N/C(C)c4cccnc4N)c(N)c3F)c12.
What is the InChIKey of 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is FWGRSSZWVCHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-3-14-17(26)7-6-12-9-13(34)10-16(18(12)14)22-20(27)21(28)19(25(35)33-22)24(30)32-11(2)15-5-4-8-31-23(15)29/h4-11,34H,3H2,1-2H3,(H2,29,31)(H2,30,32)(H3,28,33,35).
What are the key properties of 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide?
4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 478.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[1-(2-amino-3-pyridinyl)ethyl]-6-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 174252789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).