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

C21H25FN8O — CID 146650730

IUPAC9-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
SMILESCOc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(C(C)C)c5)C4)nc3c2cc1F
InChIInChI=1S/C21H25FN8O/c1-12(2)29-11-14(9-24-29)28-6-4-5-13(10-28)19-26-20-15-7-16(22)18(31-3)8-17(15)25-21(23)30(20)27-19/h7-9,11-13H,4-6,10H2,1-3H3,(H2,23,25)/t13-/m1/s1
InChIKeyANHNYLNUIMBONU-CYBMUJFWSA-N
MW424.48 g/mol
LogP3.17
Rot. Bonds4

About 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

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 (PubChem CID 146650730) has the molecular formula C21H25FN8O and a molecular weight of 424.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID146650730
Molecular FormulaC21H25FN8O
Molecular Weight424.48 g/mol
Exact Mass424.21
IUPAC Name9-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
SMILESCOc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(C(C)C)c5)C4)nc3c2cc1F
InChIInChI=1S/C21H25FN8O/c1-12(2)29-11-14(9-24-29)28-6-4-5-13(10-28)19-26-20-15-7-16(22)18(31-3)8-17(15)25-21(23)30(20)27-19/h7-9,11-13H,4-6,10H2,1-3H3,(H2,23,25)/t13-/m1/s1
InChIKeyANHNYLNUIMBONU-CYBMUJFWSA-N
XLogP3.17
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
(2S,3S)-3-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]pyrazol-1-yl]butan-2-ol
CID 146651123
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
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
(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
[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 171652451
5-[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]pentan-2-one;5-[4-[(3R)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]pentan-2-one
CID 162140130
2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 146651187
9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146651039
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;2-[(3R)-1-[1-(2,2-dimethoxycyclobutyl)pyrazol-4-yl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 161031141

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(C(C)C)c5)C4)nc3c2cc1F.
What is the InChIKey of 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?
The InChIKey is ANHNYLNUIMBONU-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H25FN8O/c1-12(2)29-11-14(9-24-29)28-6-4-5-13(10-28)19-26-20-15-7-16(22)18(31-3)8-17(15)25-21(23)30(20)27-19/h7-9,11-13H,4-6,10H2,1-3H3,(H2,23,25)/t13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 424.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146650730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).