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

C34H23ClFN11S2 — CID 91083879

IUPAC1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
SMILESCc1csc(N(c2ncc(-c3cncc(F)c3)c3ccc(C)nc23)N(c2nc(Cl)cs2)c2ncc(-c3cncnc3)c3ccc(C)nc23)n1
InChIInChI=1S/C34H23ClFN11S2/c1-18-4-6-24-26(21-8-23(36)12-37-9-21)13-40-31(29(24)42-18)46(33-44-20(3)15-48-33)47(34-45-28(35)16-49-34)32-30-25(7-5-19(2)43-30)27(14-41-32)22-10-38-17-39-11-22/h4-17H,1-3H3
InChIKeyCGYWOOINPVGAEY-UHFFFAOYSA-N
MW704.22 g/mol
LogP8.61
Rot. Bonds7

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

1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine (PubChem CID 91083879) has the molecular formula C34H23ClFN11S2 and a molecular weight of 704.22 g/mol. Its IUPAC name is 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine.

Molecular Properties

Compound Name1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
PubChem CID91083879
Molecular FormulaC34H23ClFN11S2
Molecular Weight704.22 g/mol
Exact Mass703.13
IUPAC Name1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
SMILESCc1csc(N(c2ncc(-c3cncc(F)c3)c3ccc(C)nc23)N(c2nc(Cl)cs2)c2ncc(-c3cncnc3)c3ccc(C)nc23)n1
InChIInChI=1S/C34H23ClFN11S2/c1-18-4-6-24-26(21-8-23(36)12-37-9-21)13-40-31(29(24)42-18)46(33-44-20(3)15-48-33)47(34-45-28(35)16-49-34)32-30-25(7-5-19(2)43-30)27(14-41-32)22-10-38-17-39-11-22/h4-17H,1-3H3
InChIKeyCGYWOOINPVGAEY-UHFFFAOYSA-N
XLogP8.61
TPSA122.49 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.22
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine with MolForge

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Related Compounds

US11420970, Example 281
CID 156073341
(2-Methyl-5-pyrimidin-5-yl-[1,7]naphthyridin-8-yl)-(4-trifluoromethyl-thiazol-2-yl)-amine
CID 16117056
1-(1-(6-fluoro-3-(5-fluoropyridin-3-yl)quinolin-2-yl)ethyl)-3-(thiazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 59634610
2-[4-[4-[(6,7-Difluoroquinolin-2-yl)methyl]piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-4,5-dimethyl-1,3-thiazole
CID 69938716
4,5-Dimethyl-2-[4-[4-(quinolin-4-ylmethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole
CID 10346224
(2-Methyl-5-pyrimidin-5-yl-[1,7]naphthyridin-8-yl)-(4-methyl-thiazol-2-yl)-amine
CID 16116930
(4-Chloro-thiazol-2-yl)-(2-methyl-5-pyrimidin-5-yl-[1,7]naphthyridin-8-yl)-amine
CID 16117057
(4-Methyl-thiazol-2-yl)-(5-pyrimidin-5-yl-[1,7]naphthyridin-8-yl)-amine
CID 16118829
4,5-Dimethyl-2-[4-[4-(quinolin-3-ylmethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole
CID 69938233
N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 90288531
1-(2-Methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine
CID 90786105
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
The IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine (CID 91083879) is 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine.
What is the SMILES notation for 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
The canonical SMILES for 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine is Cc1csc(N(c2ncc(-c3cncc(F)c3)c3ccc(C)nc23)N(c2nc(Cl)cs2)c2ncc(-c3cncnc3)c3ccc(C)nc23)n1.
What is the InChIKey of 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
The InChIKey is CGYWOOINPVGAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClFN11S2/c1-18-4-6-24-26(21-8-23(36)12-37-9-21)13-40-31(29(24)42-18)46(33-44-20(3)15-48-33)47(34-45-28(35)16-49-34)32-30-25(7-5-19(2)43-30)27(14-41-32)22-10-38-17-39-11-22/h4-17H,1-3H3.
What are the key properties of 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine has a molecular weight of 704.22 g/mol, XLogP of 8.61, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine is sourced from PubChem (CID 91083879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).