1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine

C35H28N10S3 — CID 90806007

IUPAC1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine
SMILESCc1cccc(-c2cnc(N(c3csc(C)n3)N(c3nc(C)cs3)c3ncc(-c4nccs4)c4ccc(C)nc34)c3nc(C)ccc23)n1
InChIInChI=1S/C35H28N10S3/c1-19-7-6-8-28(39-19)26-15-37-32(30-24(26)11-9-20(2)40-30)44(29-18-47-23(5)43-29)45(35-42-22(4)17-48-35)33-31-25(12-10-21(3)41-31)27(16-38-33)34-36-13-14-46-34/h6-18H,1-5H3
InChIKeyPIUXPOJNBIEFKM-UHFFFAOYSA-N
MW684.88 g/mol
LogP9.10
Rot. Bonds7

About 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine

1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine (PubChem CID 90806007) has the molecular formula C35H28N10S3 and a molecular weight of 684.88 g/mol. Its IUPAC name is 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine.

Molecular Properties

Compound Name1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine
PubChem CID90806007
Molecular FormulaC35H28N10S3
Molecular Weight684.88 g/mol
Exact Mass684.17
IUPAC Name1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine
SMILESCc1cccc(-c2cnc(N(c3csc(C)n3)N(c3nc(C)cs3)c3ncc(-c4nccs4)c4ccc(C)nc34)c3nc(C)ccc23)n1
InChIInChI=1S/C35H28N10S3/c1-19-7-6-8-28(39-19)26-15-37-32(30-24(26)11-9-20(2)40-30)44(29-18-47-23(5)43-29)45(35-42-22(4)17-48-35)33-31-25(12-10-21(3)41-31)27(16-38-33)34-36-13-14-46-34/h6-18H,1-5H3
InChIKeyPIUXPOJNBIEFKM-UHFFFAOYSA-N
XLogP9.10
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms48
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine?
The IUPAC name of 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine (CID 90806007) is 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine.
What is the SMILES notation for 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine?
The canonical SMILES for 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine is Cc1cccc(-c2cnc(N(c3csc(C)n3)N(c3nc(C)cs3)c3ncc(-c4nccs4)c4ccc(C)nc34)c3nc(C)ccc23)n1.
What is the InChIKey of 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine?
The InChIKey is PIUXPOJNBIEFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N10S3/c1-19-7-6-8-28(39-19)26-15-37-32(30-24(26)11-9-20(2)40-30)44(29-18-47-23(5)43-29)45(35-42-22(4)17-48-35)33-31-25(12-10-21(3)41-31)27(16-38-33)34-36-13-14-46-34/h6-18H,1-5H3.
What are the key properties of 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine?
1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine has a molecular weight of 684.88 g/mol, XLogP of 9.10, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine is sourced from PubChem (CID 90806007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).