7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C19H20F2N8O — CID 167359239

IUPAC7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCn1cc(N2CCC[C@@H](c3nc4c5cccc(OC(F)F)c5nc(N)n4n3)C2)cn1
InChIInChI=1S/C19H20F2N8O/c1-27-10-12(8-23-27)28-7-3-4-11(9-28)16-25-17-13-5-2-6-14(30-18(20)21)15(13)24-19(22)29(17)26-16/h2,5-6,8,10-11,18H,3-4,7,9H2,1H3,(H2,22,24)/t11-/m1/s1
InChIKeySEQVRKRHMHAMNK-LLVKDONJSA-N
MW414.42 g/mol
LogP2.58
Rot. Bonds4

About 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 167359239) has the molecular formula C19H20F2N8O and a molecular weight of 414.42 g/mol. Its IUPAC name is 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID167359239
Molecular FormulaC19H20F2N8O
Molecular Weight414.42 g/mol
Exact Mass414.17
IUPAC Name7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCn1cc(N2CCC[C@@H](c3nc4c5cccc(OC(F)F)c5nc(N)n4n3)C2)cn1
InChIInChI=1S/C19H20F2N8O/c1-27-10-12(8-23-27)28-7-3-4-11(9-28)16-25-17-13-5-2-6-14(30-18(20)21)15(13)24-19(22)29(17)26-16/h2,5-6,8,10-11,18H,3-4,7,9H2,1H3,(H2,22,24)/t11-/m1/s1
InChIKeySEQVRKRHMHAMNK-LLVKDONJSA-N
XLogP2.58
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 167359239) is 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cn1cc(N2CCC[C@@H](c3nc4c5cccc(OC(F)F)c5nc(N)n4n3)C2)cn1.
What is the InChIKey of 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is SEQVRKRHMHAMNK-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20F2N8O/c1-27-10-12(8-23-27)28-7-3-4-11(9-28)16-25-17-13-5-2-6-14(30-18(20)21)15(13)24-19(22)29(17)26-16/h2,5-6,8,10-11,18H,3-4,7,9H2,1H3,(H2,22,24)/t11-/m1/s1.
What are the key properties of 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 414.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-2-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 167359239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).