2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C22H23F2N7O2 — CID 167359218

IUPAC2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1ccc2c(c1)nc(N)n1nc([C@@H]3CCCN(c4cc(C)c(OC(F)F)cn4)C3)nc21
InChIInChI=1S/C22H23F2N7O2/c1-12-8-18(26-10-17(12)33-21(23)24)30-7-3-4-13(11-30)19-28-20-15-6-5-14(32-2)9-16(15)27-22(25)31(20)29-19/h5-6,8-10,13,21H,3-4,7,11H2,1-2H3,(H2,25,27)/t13-/m1/s1
InChIKeyWSWFXMJJXBFBPZ-CYBMUJFWSA-N
MW455.47 g/mol
LogP3.56
Rot. Bonds5

About 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 167359218) has the molecular formula C22H23F2N7O2 and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID167359218
Molecular FormulaC22H23F2N7O2
Molecular Weight455.47 g/mol
Exact Mass455.19
IUPAC Name2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1ccc2c(c1)nc(N)n1nc([C@@H]3CCCN(c4cc(C)c(OC(F)F)cn4)C3)nc21
InChIInChI=1S/C22H23F2N7O2/c1-12-8-18(26-10-17(12)33-21(23)24)30-7-3-4-13(11-30)19-28-20-15-6-5-14(32-2)9-16(15)27-22(25)31(20)29-19/h5-6,8-10,13,21H,3-4,7,11H2,1-2H3,(H2,25,27)/t13-/m1/s1
InChIKeyWSWFXMJJXBFBPZ-CYBMUJFWSA-N
XLogP3.56
TPSA103.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Related Compounds

(3R)-3-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]butan-2-ol
CID 176511136
2-[(3R)-1-[6-(difluoromethoxy)-5-methyl-3-pyridinyl]piperidin-3-yl]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146650447
2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 167359087
5-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-(difluoromethyl)-3-methylpyridin-2-one
CID 146651179
9-fluoro-8-methoxy-2-[(3R)-1-(1-propan-2-ylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146650730
7-methoxy-2-[(3R)-1-phenylpiperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155926715
2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 176511061
2-[(3R)-1-(1-ethylpyrazol-4-yl)piperidin-3-yl]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 159673651
3-[4-[(3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol
CID 164607515
7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359117
1-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]triazol-1-yl]-2-methylpropan-2-ol
CID 167359094
2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]cyclobutan-1-one
CID 146651141

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 167359218) is 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1ccc2c(c1)nc(N)n1nc([C@@H]3CCCN(c4cc(C)c(OC(F)F)cn4)C3)nc21.
What is the InChIKey of 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is WSWFXMJJXBFBPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23F2N7O2/c1-12-8-18(26-10-17(12)33-21(23)24)30-7-3-4-13(11-30)19-28-20-15-6-5-14(32-2)9-16(15)27-22(25)31(20)29-19/h5-6,8-10,13,21H,3-4,7,11H2,1-2H3,(H2,25,27)/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 455.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[5-(difluoromethoxy)-4-methyl-2-pyridinyl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 167359218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).