6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane

C21H20ClFN6OS — CID 163369107

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane
SMILESCC.COc1ncc(Cl)cc1SNc1cc(F)cc(-c2cnc3nc(N)ncc3c2)c1
InChIInChI=1S/C19H14ClFN6OS.C2H6/c1-28-18-16(5-13(20)9-24-18)29-27-15-4-10(3-14(21)6-15)11-2-12-8-25-19(22)26-17(12)23-7-11;1-2/h2-9,27H,1H3,(H2,22,23,25,26);1-2H3
InChIKeyCCPGGHXHFWNJDM-UHFFFAOYSA-N
MW458.95 g/mol
LogP5.62
Rot. Bonds5

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane (PubChem CID 163369107) has the molecular formula C21H20ClFN6OS and a molecular weight of 458.95 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane
PubChem CID163369107
Molecular FormulaC21H20ClFN6OS
Molecular Weight458.95 g/mol
Exact Mass458.11
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane
SMILESCC.COc1ncc(Cl)cc1SNc1cc(F)cc(-c2cnc3nc(N)ncc3c2)c1
InChIInChI=1S/C19H14ClFN6OS.C2H6/c1-28-18-16(5-13(20)9-24-18)29-27-15-4-10(3-14(21)6-15)11-2-12-8-25-19(22)26-17(12)23-7-11;1-2/h2-9,27H,1H3,(H2,22,23,25,26);1-2H3
InChIKeyCCPGGHXHFWNJDM-UHFFFAOYSA-N
XLogP5.62
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane with MolForge

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Related Compounds

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 163369073
6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-3,5-difluoro-4-pyridinyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine
CID 170575831
7-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-2,6-difluorophenyl]isoquinolin-3-amine
CID 156833388
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-4-fluorophenyl]-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
CID 163369489
N-[(5-chloro-2-methoxy-3-pyridinyl)sulfanyl]-2-fluoro-5-[(5Z)-2-methyl-5-[(methylideneamino)methylidene]-6-methylimino-3-pyridinyl]aniline;methanamine
CID 163369087
6-(3-ethyl-5-methoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine
CID 90264890
6-[5-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-2-fluorophenyl]-8-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 176916590
6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2,6-difluorophenyl]quinazolin-2-amine
CID 156833178
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-2,6-difluorophenyl]-N-cyclohexylquinazolin-2-amine
CID 169156170
N-[(5-chloro-2-methoxy-3-pyridinyl)sulfanyl]-2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-4-amine
CID 130332572
8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine
CID 84638408
[2-amino-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-2,6-difluorophenyl]-5-oxopyrido[4,3-d]pyrimidin-8-yl]methyl acetate
CID 170445225

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane (CID 163369107) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane.
What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane is CC.COc1ncc(Cl)cc1SNc1cc(F)cc(-c2cnc3nc(N)ncc3c2)c1.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane?
The InChIKey is CCPGGHXHFWNJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6OS.C2H6/c1-28-18-16(5-13(20)9-24-18)29-27-15-4-10(3-14(21)6-15)11-2-12-8-25-19(22)26-17(12)23-7-11;1-2/h2-9,27H,1H3,(H2,22,23,25,26);1-2H3.
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane has a molecular weight of 458.95 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine;ethane is sourced from PubChem (CID 163369107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).