5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol

C18H20N8O — CID 146597584

IUPAC5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
SMILESCn1cc(N2CCC[C@H](c3nc4c5cccc(O)c5nc(N)n4n3)C2)cn1
InChIInChI=1S/C18H20N8O/c1-24-10-12(8-20-24)25-7-3-4-11(9-25)16-22-17-13-5-2-6-14(27)15(13)21-18(19)26(17)23-16/h2,5-6,8,10-11,27H,3-4,7,9H2,1H3,(H2,19,21)/t11-/m0/s1
InChIKeyRKZZPJTXAGJVSP-NSHDSACASA-N
MW364.41 g/mol
LogP1.68
Rot. Bonds2

About 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol

5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol (PubChem CID 146597584) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol.

Molecular Properties

Compound Name5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
PubChem CID146597584
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
SMILESCn1cc(N2CCC[C@H](c3nc4c5cccc(O)c5nc(N)n4n3)C2)cn1
InChIInChI=1S/C18H20N8O/c1-24-10-12(8-20-24)25-7-3-4-11(9-25)16-22-17-13-5-2-6-14(27)15(13)21-18(19)26(17)23-16/h2,5-6,8,10-11,27H,3-4,7,9H2,1H3,(H2,19,21)/t11-/m0/s1
InChIKeyRKZZPJTXAGJVSP-NSHDSACASA-N
XLogP1.68
TPSA110.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

7,10-difluoro-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359270
7-methoxy-2-[(3R)-1-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359235
7-methoxy-2-[(3R)-1-phenylpiperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155926715
3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol
CID 167359163
5-amino-2-[1-(2,2-difluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
CID 137359948
7-methoxy-2-[1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597572
7-methoxy-2-[(3R)-1-[1-(2-methoxycyclopentyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359269
7-methoxy-2-[(3R)-1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597571
7-methoxy-2-[(3R)-1-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359063
2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide
CID 167359215
2-[(3R)-1-(1-tert-butylpyrazol-4-yl)pyrrolidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359079
5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one
CID 167359059

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol?
The IUPAC name of 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol (CID 146597584) is 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol.
What is the SMILES notation for 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol?
The canonical SMILES for 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol is Cn1cc(N2CCC[C@H](c3nc4c5cccc(O)c5nc(N)n4n3)C2)cn1.
What is the InChIKey of 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol?
The InChIKey is RKZZPJTXAGJVSP-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N8O/c1-24-10-12(8-20-24)25-7-3-4-11(9-25)16-22-17-13-5-2-6-14(27)15(13)21-18(19)26(17)23-16/h2,5-6,8,10-11,27H,3-4,7,9H2,1H3,(H2,19,21)/t11-/m0/s1.
What are the key properties of 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol?
5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol has a molecular weight of 364.41 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol is sourced from PubChem (CID 146597584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).