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

C27H32FN7O — CID 142464153

IUPAC1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCC(C)(N)CC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H32FN7O/c1-27(29)6-11-34(12-7-27)18-4-9-33(10-5-18)19-15-31-26-22(16-32-35(26)17-19)20-3-8-30-24-14-23(28)25(36-2)13-21(20)24/h3,8,13-18H,4-7,9-12,29H2,1-2H3
InChIKeyQPACMCXOPASIIB-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.87
Rot. Bonds4

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

1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine (PubChem CID 142464153) has the molecular formula C27H32FN7O and a molecular weight of 489.60 g/mol. Its IUPAC name is 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine
PubChem CID142464153
Molecular FormulaC27H32FN7O
Molecular Weight489.60 g/mol
Exact Mass489.27
IUPAC Name1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCC(C)(N)CC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H32FN7O/c1-27(29)6-11-34(12-7-27)18-4-9-33(10-5-18)19-15-31-26-22(16-32-35(26)17-19)20-3-8-30-24-14-23(28)25(36-2)13-21(20)24/h3,8,13-18H,4-7,9-12,29H2,1-2H3
InChIKeyQPACMCXOPASIIB-UHFFFAOYSA-N
XLogP3.87
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine (CID 142464153) is 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine is COc1cc2c(-c3cnn4cc(N5CCC(N6CCC(C)(N)CC6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine?
The InChIKey is QPACMCXOPASIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O/c1-27(29)6-11-34(12-7-27)18-4-9-33(10-5-18)19-15-31-26-22(16-32-35(26)17-19)20-3-8-30-24-14-23(28)25(36-2)13-21(20)24/h3,8,13-18H,4-7,9-12,29H2,1-2H3.
What are the key properties of 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine?
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine has a molecular weight of 489.60 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 142464153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).