7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine

C46H34N8S2 — CID 59376883

IUPAC7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3cc(-c4cnc(-c5ccc(Sc6ccccc6)c(Nc6ccnc7nc(C)ccc67)c5)cn4)ccc3Sc3ccccc3)ccnc2n1
InChIInChI=1S/C46H34N8S2/c1-29-13-17-35-37(21-23-47-45(35)51-29)53-39-25-31(15-19-43(39)55-33-9-5-3-6-10-33)41-27-50-42(28-49-41)32-16-20-44(56-34-11-7-4-8-12-34)40(26-32)54-38-22-24-48-46-36(38)18-14-30(2)52-46/h3-28H,1-2H3,(H,47,51,53)(H,48,52,54)
InChIKeyNSKIOCDNRQZMNX-UHFFFAOYSA-N
MW762.97 g/mol
LogP12.10
Rot. Bonds10

About 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine

7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine (PubChem CID 59376883) has the molecular formula C46H34N8S2 and a molecular weight of 762.97 g/mol. Its IUPAC name is 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine
PubChem CID59376883
Molecular FormulaC46H34N8S2
Molecular Weight762.97 g/mol
Exact Mass762.23
IUPAC Name7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3cc(-c4cnc(-c5ccc(Sc6ccccc6)c(Nc6ccnc7nc(C)ccc67)c5)cn4)ccc3Sc3ccccc3)ccnc2n1
InChIInChI=1S/C46H34N8S2/c1-29-13-17-35-37(21-23-47-45(35)51-29)53-39-25-31(15-19-43(39)55-33-9-5-3-6-10-33)41-27-50-42(28-49-41)32-16-20-44(56-34-11-7-4-8-12-34)40(26-32)54-38-22-24-48-46-36(38)18-14-30(2)52-46/h3-28H,1-2H3,(H,47,51,53)(H,48,52,54)
InChIKeyNSKIOCDNRQZMNX-UHFFFAOYSA-N
XLogP12.10
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.97
LogP ≤ 512.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine (CID 59376883) is 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine is Cc1ccc2c(Nc3cc(-c4cnc(-c5ccc(Sc6ccccc6)c(Nc6ccnc7nc(C)ccc67)c5)cn4)ccc3Sc3ccccc3)ccnc2n1.
What is the InChIKey of 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine?
The InChIKey is NSKIOCDNRQZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N8S2/c1-29-13-17-35-37(21-23-47-45(35)51-29)53-39-25-31(15-19-43(39)55-33-9-5-3-6-10-33)41-27-50-42(28-49-41)32-16-20-44(56-34-11-7-4-8-12-34)40(26-32)54-38-22-24-48-46-36(38)18-14-30(2)52-46/h3-28H,1-2H3,(H,47,51,53)(H,48,52,54).
What are the key properties of 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine?
7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine has a molecular weight of 762.97 g/mol, XLogP of 12.10, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[5-[5-[3-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-phenylsulfanylphenyl]pyrazin-2-yl]-2-phenylsulfanylphenyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 59376883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).