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

C19H14ClFN6OS — CID 163369073

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine
SMILESCOc1ncc(Cl)cc1SNc1cc(F)cc(-c2cnc3nc(N)ncc3c2)c1
InChIInChI=1S/C19H14ClFN6OS/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/h2-9,27H,1H3,(H2,22,23,25,26)
InChIKeyPMQKRECQRKSGKX-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.59
Rot. Bonds5

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 163369073) has the molecular formula C19H14ClFN6OS and a molecular weight of 428.88 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine
PubChem CID163369073
Molecular FormulaC19H14ClFN6OS
Molecular Weight428.88 g/mol
Exact Mass428.06
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine
SMILESCOc1ncc(Cl)cc1SNc1cc(F)cc(-c2cnc3nc(N)ncc3c2)c1
InChIInChI=1S/C19H14ClFN6OS/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/h2-9,27H,1H3,(H2,22,23,25,26)
InChIKeyPMQKRECQRKSGKX-UHFFFAOYSA-N
XLogP4.59
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.59
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 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;ethane
CID 163369107
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?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine (CID 163369073) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine is 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?
The InChIKey is PMQKRECQRKSGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6OS/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/h2-9,27H,1H3,(H2,22,23,25,26).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-5-fluorophenyl]pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 428.88 g/mol, XLogP of 4.59, 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 is sourced from PubChem (CID 163369073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).