9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C24H29FN8O2 — CID 146651033

IUPAC9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(C6CCOCC6)c5C)C4)nc3c2cc1F
InChIInChI=1S/C24H29FN8O2/c1-14-20(12-27-32(14)16-5-8-35-9-6-16)31-7-3-4-15(13-31)22-29-23-17-10-18(25)21(34-2)11-19(17)28-24(26)33(23)30-22/h10-12,15-16H,3-9,13H2,1-2H3,(H2,26,28)/t15-/m1/s1
InChIKeyQWPUTXDQVHOYKW-OAHLLOKOSA-N
MW480.55 g/mol
LogP3.25
Rot. Bonds4

About 9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 146651033) has the molecular formula C24H29FN8O2 and a molecular weight of 480.55 g/mol. Its IUPAC name is 9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-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-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID146651033
Molecular FormulaC24H29FN8O2
Molecular Weight480.55 g/mol
Exact Mass480.24
IUPAC Name9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(C6CCOCC6)c5C)C4)nc3c2cc1F
InChIInChI=1S/C24H29FN8O2/c1-14-20(12-27-32(14)16-5-8-35-9-6-16)31-7-3-4-15(13-31)22-29-23-17-10-18(25)21(34-2)11-19(17)28-24(26)33(23)30-22/h10-12,15-16H,3-9,13H2,1-2H3,(H2,26,28)/t15-/m1/s1
InChIKeyQWPUTXDQVHOYKW-OAHLLOKOSA-N
XLogP3.25
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-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-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 146651033) is 9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-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-[5-methyl-1-(oxan-4-yl)pyrazol-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-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(C6CCOCC6)c5C)C4)nc3c2cc1F.
What is the InChIKey of 9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is QWPUTXDQVHOYKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H29FN8O2/c1-14-20(12-27-32(14)16-5-8-35-9-6-16)31-7-3-4-15(13-31)22-29-23-17-10-18(25)21(34-2)11-19(17)28-24(26)33(23)30-22/h10-12,15-16H,3-9,13H2,1-2H3,(H2,26,28)/t15-/m1/s1.
What are the key properties of 9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 480.55 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 146651033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).