6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C24H18F5N9O — CID 58275538

IUPAC6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)Oc1ccc(-c2ccc3nc(NCc4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cn1
InChIInChI=1S/C24H18F5N9O/c25-22(26)39-19-8-3-15(10-31-19)17-6-7-18-20(35-17)21(33-11-24(27,28)29)37-23(36-18)32-9-14-1-4-16(5-2-14)38-13-30-12-34-38/h1-8,10,12-13,22H,9,11H2,(H2,32,33,36,37)
InChIKeyVLZSIIGDHKSJJF-UHFFFAOYSA-N
MW543.46 g/mol
LogP4.86
Rot. Bonds9

About 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 58275538) has the molecular formula C24H18F5N9O and a molecular weight of 543.46 g/mol. Its IUPAC name is 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID58275538
Molecular FormulaC24H18F5N9O
Molecular Weight543.46 g/mol
Exact Mass543.16
IUPAC Name6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)Oc1ccc(-c2ccc3nc(NCc4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cn1
InChIInChI=1S/C24H18F5N9O/c25-22(26)39-19-8-3-15(10-31-19)17-6-7-18-20(35-17)21(33-11-24(27,28)29)37-23(36-18)32-9-14-1-4-16(5-2-14)38-13-30-12-34-38/h1-8,10,12-13,22H,9,11H2,(H2,32,33,36,37)
InChIKeyVLZSIIGDHKSJJF-UHFFFAOYSA-N
XLogP4.86
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

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CID 73386882
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CID 25064730
CID 25064730
CID 73386768
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CID 73386878
CID 73386878
CID 57390672
CID 57390672
CID 57397964
CID 57397964
CID 90000938
CID 90000938
CID 57390673
CID 57390673
CID 655783
CID 655783
CID 9604912
CID 9604912
CID 44530412
CID 44530412

Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 58275538) is 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is FC(F)Oc1ccc(-c2ccc3nc(NCc4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cn1.
What is the InChIKey of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is VLZSIIGDHKSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N9O/c25-22(26)39-19-8-3-15(10-31-19)17-6-7-18-20(35-17)21(33-11-24(27,28)29)37-23(36-18)32-9-14-1-4-16(5-2-14)38-13-30-12-34-38/h1-8,10,12-13,22H,9,11H2,(H2,32,33,36,37).
What are the key properties of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 543.46 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58275538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).