1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C24H31FN8O2 — CID 146650720

IUPAC1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCCC1CCC(c2nc3c4cc(F)c(OC)cc4nc(N)n3n2)CN1c1cnn(CC(C)(C)O)c1
InChIInChI=1S/C24H31FN8O2/c1-5-15-7-6-14(11-32(15)16-10-27-31(12-16)13-24(2,3)34)21-29-22-17-8-18(25)20(35-4)9-19(17)28-23(26)33(22)30-21/h8-10,12,14-15,34H,5-7,11,13H2,1-4H3,(H2,26,28)
InChIKeyGPQHBQJYGUIQFQ-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.14
Rot. Bonds6

About 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 146650720) has the molecular formula C24H31FN8O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID146650720
Molecular FormulaC24H31FN8O2
Molecular Weight482.56 g/mol
Exact Mass482.26
IUPAC Name1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCCC1CCC(c2nc3c4cc(F)c(OC)cc4nc(N)n3n2)CN1c1cnn(CC(C)(C)O)c1
InChIInChI=1S/C24H31FN8O2/c1-5-15-7-6-14(11-32(15)16-10-27-31(12-16)13-24(2,3)34)21-29-22-17-8-18(25)20(35-4)9-19(17)28-23(26)33(22)30-21/h8-10,12,14-15,34H,5-7,11,13H2,1-4H3,(H2,26,28)
InChIKeyGPQHBQJYGUIQFQ-UHFFFAOYSA-N
XLogP3.14
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

4-Aminopyrazole quinazoline, 7
CID 25138095
4-Aminopyrazole quinazoline, 8
CID 25138096
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
8-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317314
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-7-methoxy-4-N-(1-methylimidazol-4-yl)quinazoline-2,4-diamine
CID 75108447
(2R,3R,4S,5R)-5-(4-amino-5-pyrazol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-2-[[2-(azetidin-1-yl)quinolin-7-yl]oxymethyl]-4-fluorooxolan-3-ol
CID 156327033
US10457677, Example 36
CID 122589382
US10457677, Example 14
CID 122589424
US10457677, Example 24
CID 122589434
US10457677, Example 16
CID 122589436
US10457677, Example 27
CID 122589447
US10457677, Example 105
CID 134325506

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 146650720) is 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CCC1CCC(c2nc3c4cc(F)c(OC)cc4nc(N)n3n2)CN1c1cnn(CC(C)(C)O)c1.
What is the InChIKey of 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is GPQHBQJYGUIQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN8O2/c1-5-15-7-6-14(11-32(15)16-10-27-31(12-16)13-24(2,3)34)21-29-22-17-8-18(25)20(35-4)9-19(17)28-23(26)33(22)30-21/h8-10,12,14-15,34H,5-7,11,13H2,1-4H3,(H2,26,28).
What are the key properties of 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 482.56 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 146650720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).