6-(6-cyclopropyloxy-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

C26H22F3N9O — CID 58275395

IUPAC6-(6-cyclopropyloxy-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)(F)CNc1nc(NCc2ccc(-n3cncn3)cc2)nc2ccc(-c3ccc(OC4CC4)nc3)nc12
InChIInChI=1S/C26H22F3N9O/c27-26(28,29)13-33-24-23-21(9-8-20(35-23)17-3-10-22(31-12-17)39-19-6-7-19)36-25(37-24)32-11-16-1-4-18(5-2-16)38-15-30-14-34-38/h1-5,8-10,12,14-15,19H,6-7,11,13H2,(H2,32,33,36,37)
InChIKeyBGLJVHFMVAORQG-UHFFFAOYSA-N
MW533.52 g/mol
LogP4.80
Rot. Bonds9

About 6-(6-cyclopropyloxy-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-cyclopropyloxy-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 58275395) has the molecular formula C26H22F3N9O and a molecular weight of 533.52 g/mol. Its IUPAC name is 6-(6-cyclopropyloxy-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-cyclopropyloxy-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 CID58275395
Molecular FormulaC26H22F3N9O
Molecular Weight533.52 g/mol
Exact Mass533.19
IUPAC Name6-(6-cyclopropyloxy-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)(F)CNc1nc(NCc2ccc(-n3cncn3)cc2)nc2ccc(-c3ccc(OC4CC4)nc3)nc12
InChIInChI=1S/C26H22F3N9O/c27-26(28,29)13-33-24-23-21(9-8-20(35-23)17-3-10-22(31-12-17)39-19-6-7-19)36-25(37-24)32-11-16-1-4-18(5-2-16)38-15-30-14-34-38/h1-5,8-10,12,14-15,19H,6-7,11,13H2,(H2,32,33,36,37)
InChIKeyBGLJVHFMVAORQG-UHFFFAOYSA-N
XLogP4.80
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(6-cyclopropyloxy-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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Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopropyloxy-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-cyclopropyloxy-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 58275395) is 6-(6-cyclopropyloxy-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-cyclopropyloxy-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-cyclopropyloxy-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)(F)CNc1nc(NCc2ccc(-n3cncn3)cc2)nc2ccc(-c3ccc(OC4CC4)nc3)nc12.
What is the InChIKey of 6-(6-cyclopropyloxy-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 BGLJVHFMVAORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N9O/c27-26(28,29)13-33-24-23-21(9-8-20(35-23)17-3-10-22(31-12-17)39-19-6-7-19)36-25(37-24)32-11-16-1-4-18(5-2-16)38-15-30-14-34-38/h1-5,8-10,12,14-15,19H,6-7,11,13H2,(H2,32,33,36,37).
What are the key properties of 6-(6-cyclopropyloxy-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-cyclopropyloxy-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 533.52 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclopropyloxy-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 58275395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).