3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine

C23H17F2N7OS — CID 25257374

IUPAC3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine
SMILESCOc1ccc(-n2nnnc2-c2cc(-c3cc(C)c(-c4cccnc4)s3)cnc2N)c(F)c1F
InChIInChI=1S/C23H17F2N7OS/c1-12-8-18(34-21(12)13-4-3-7-27-10-13)14-9-15(22(26)28-11-14)23-29-30-31-32(23)16-5-6-17(33-2)20(25)19(16)24/h3-11H,1-2H3,(H2,26,28)
InChIKeyRFTNCIYJJIXNQI-UHFFFAOYSA-N
MW477.50 g/mol
LogP4.69
Rot. Bonds5

About 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine (PubChem CID 25257374) has the molecular formula C23H17F2N7OS and a molecular weight of 477.50 g/mol. Its IUPAC name is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine
PubChem CID25257374
Molecular FormulaC23H17F2N7OS
Molecular Weight477.50 g/mol
Exact Mass477.12
IUPAC Name3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine
SMILESCOc1ccc(-n2nnnc2-c2cc(-c3cc(C)c(-c4cccnc4)s3)cnc2N)c(F)c1F
InChIInChI=1S/C23H17F2N7OS/c1-12-8-18(34-21(12)13-4-3-7-27-10-13)14-9-15(22(26)28-11-14)23-29-30-31-32(23)16-5-6-17(33-2)20(25)19(16)24/h3-11H,1-2H3,(H2,26,28)
InChIKeyRFTNCIYJJIXNQI-UHFFFAOYSA-N
XLogP4.69
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866553
5-chloro-2-N-(5-thiophen-3-yl-2-pyridinyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 168277226
US11839613, Example 349
CID 151255455
7-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
CID 60182386
N-(4-methoxyphenyl)-N-methyl-6-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 44583629
N-(4-methoxyphenyl)-6-(2-methyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 172454320
N-(4-methoxyphenyl)-6-(3-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 172468065
5-[1-(4-Methoxyphenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine
CID 1046849
4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine
CID 29090188
6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 29090860
1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 29090861
3-[1-(2,3-Difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-4-ylthiophen-2-yl)pyridin-2-amine
CID 25257139

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine (CID 25257374) is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine is COc1ccc(-n2nnnc2-c2cc(-c3cc(C)c(-c4cccnc4)s3)cnc2N)c(F)c1F.
What is the InChIKey of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine?
The InChIKey is RFTNCIYJJIXNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N7OS/c1-12-8-18(34-21(12)13-4-3-7-27-10-13)14-9-15(22(26)28-11-14)23-29-30-31-32(23)16-5-6-17(33-2)20(25)19(16)24/h3-11H,1-2H3,(H2,26,28).
What are the key properties of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine?
3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine has a molecular weight of 477.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 25257374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).