(2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol

C24H31FN8O2 — CID 146651202

IUPAC(2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc([C@H]3CC[C@@H](C)N(c4cnn(C(C)(C)[C@@H](C)O)c4)C3)nc21
InChIInChI=1S/C24H31FN8O2/c1-13-6-7-15(11-31(13)17-10-27-32(12-17)24(3,4)14(2)34)21-29-22-18-8-16(25)9-19(35-5)20(18)28-23(26)33(22)30-21/h8-10,12-15,34H,6-7,11H2,1-5H3,(H2,26,28)/t13-,14-,15+/m1/s1
InChIKeyJXIIUYAJQMRSJT-KFWWJZLASA-N
MW482.56 g/mol
LogP3.09
Rot. Bonds5

About (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol

(2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol (PubChem CID 146651202) has the molecular formula C24H31FN8O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name(2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol
PubChem CID146651202
Molecular FormulaC24H31FN8O2
Molecular Weight482.56 g/mol
Exact Mass482.26
IUPAC Name(2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc([C@H]3CC[C@@H](C)N(c4cnn(C(C)(C)[C@@H](C)O)c4)C3)nc21
InChIInChI=1S/C24H31FN8O2/c1-13-6-7-15(11-31(13)17-10-27-32(12-17)24(3,4)14(2)34)21-29-22-18-8-16(25)9-19(35-5)20(18)28-23(26)33(22)30-21/h8-10,12-15,34H,6-7,11H2,1-5H3,(H2,26,28)/t13-,14-,15+/m1/s1
InChIKeyJXIIUYAJQMRSJT-KFWWJZLASA-N
XLogP3.09
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[(2S,5R)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 146651181
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
2-[4-[(3S,5R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 146651207
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-[(3R,6S)-1-(1-cyclopropylpyrazol-4-yl)-6-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 176511081
(2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol
CID 146651087
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
[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 171652376
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
[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-(2-amino-5-fluoro-3-pyridinyl)methanone
CID 171653113
2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 176511126
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

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol?
The IUPAC name of (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol (CID 146651202) is (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol.
What is the SMILES notation for (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol?
The canonical SMILES for (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol is COc1cc(F)cc2c1nc(N)n1nc([C@H]3CC[C@@H](C)N(c4cnn(C(C)(C)[C@@H](C)O)c4)C3)nc21.
What is the InChIKey of (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol?
The InChIKey is JXIIUYAJQMRSJT-KFWWJZLASA-N. The full InChI is InChI=1S/C24H31FN8O2/c1-13-6-7-15(11-31(13)17-10-27-32(12-17)24(3,4)14(2)34)21-29-22-18-8-16(25)9-19(35-5)20(18)28-23(26)33(22)30-21/h8-10,12-15,34H,6-7,11H2,1-5H3,(H2,26,28)/t13-,14-,15+/m1/s1.
What are the key properties of (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol?
(2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol has a molecular weight of 482.56 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 146651202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).