2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine

C24H27FN6O — CID 142464273

IUPAC2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(C(C)(C)N)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C24H27FN6O/c1-24(2,26)15-5-8-30(9-6-15)16-12-28-23-19(13-29-31(23)14-16)17-4-7-27-21-11-20(25)22(32-3)10-18(17)21/h4,7,10-15H,5-6,8-9,26H2,1-3H3
InChIKeyOQEFCYARODSCPY-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.05
Rot. Bonds4

About 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine

2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine (PubChem CID 142464273) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine
PubChem CID142464273
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(C(C)(C)N)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C24H27FN6O/c1-24(2,26)15-5-8-30(9-6-15)16-12-28-23-19(13-29-31(23)14-16)17-4-7-27-21-11-20(25)22(32-3)10-18(17)21/h4,7,10-15H,5-6,8-9,26H2,1-3H3
InChIKeyOQEFCYARODSCPY-UHFFFAOYSA-N
XLogP4.05
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine (CID 142464273) is 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine is COc1cc2c(-c3cnn4cc(N5CCC(C(C)(C)N)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine?
The InChIKey is OQEFCYARODSCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-24(2,26)15-5-8-30(9-6-15)16-12-28-23-19(13-29-31(23)14-16)17-4-7-27-21-11-20(25)22(32-3)10-18(17)21/h4,7,10-15H,5-6,8-9,26H2,1-3H3.
What are the key properties of 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine?
2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine has a molecular weight of 434.52 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]propan-2-amine is sourced from PubChem (CID 142464273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).