N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

C24H25ClFN9O3S — CID 123558665

IUPACN-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1ccc(F)c(N(Cc2nccn2S(O)(O)N(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1Cl
InChIInChI=1S/C24H25ClFN9O3S/c1-32(2)39(36,37)35-10-9-27-21(35)14-34(23-16(26)5-7-19(38-4)22(23)25)20-8-6-17-24(31-20)30-18(12-28-17)15-11-29-33(3)13-15/h5-13,36-37H,14H2,1-4H3
InChIKeyZIADCCVEYQKSCA-UHFFFAOYSA-N
MW574.04 g/mol
LogP4.75
Rot. Bonds8

About N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 123558665) has the molecular formula C24H25ClFN9O3S and a molecular weight of 574.04 g/mol. Its IUPAC name is N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID123558665
Molecular FormulaC24H25ClFN9O3S
Molecular Weight574.04 g/mol
Exact Mass573.15
IUPAC NameN-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOc1ccc(F)c(N(Cc2nccn2S(O)(O)N(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1Cl
InChIInChI=1S/C24H25ClFN9O3S/c1-32(2)39(36,37)35-10-9-27-21(35)14-34(23-16(26)5-7-19(38-4)22(23)25)20-8-6-17-24(31-20)30-18(12-28-17)15-11-29-33(3)13-15/h5-13,36-37H,14H2,1-4H3
InChIKeyZIADCCVEYQKSCA-UHFFFAOYSA-N
XLogP4.75
TPSA130.48 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.04
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (CID 123558665) is N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is COc1ccc(F)c(N(Cc2nccn2S(O)(O)N(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1Cl.
What is the InChIKey of N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is ZIADCCVEYQKSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN9O3S/c1-32(2)39(36,37)35-10-9-27-21(35)14-34(23-16(26)5-7-19(38-4)22(23)25)20-8-6-17-24(31-20)30-18(12-28-17)15-11-29-33(3)13-15/h5-13,36-37H,14H2,1-4H3.
What are the key properties of N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 574.04 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[[1-[dimethylamino(dihydroxy)-λ4-sulfanyl]imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 123558665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).