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

C21H21FN6O — CID 142464376

IUPAC1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C21H21FN6O/c1-29-20-8-16-15(2-5-24-19(16)9-18(20)22)17-11-26-28-12-14(10-25-21(17)28)27-6-3-13(23)4-7-27/h2,5,8-13H,3-4,6-7,23H2,1H3
InChIKeyAJVPRZFYPJYGOL-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.02
Rot. Bonds3

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

1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine (PubChem CID 142464376) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine
PubChem CID142464376
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C21H21FN6O/c1-29-20-8-16-15(2-5-24-19(16)9-18(20)22)17-11-26-28-12-14(10-25-21(17)28)27-6-3-13(23)4-7-27/h2,5,8-13H,3-4,6-7,23H2,1H3
InChIKeyAJVPRZFYPJYGOL-UHFFFAOYSA-N
XLogP3.02
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine?
The IUPAC name of 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine (CID 142464376) is 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine?
The canonical SMILES for 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine is COc1cc2c(-c3cnn4cc(N5CCC(N)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine?
The InChIKey is AJVPRZFYPJYGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-29-20-8-16-15(2-5-24-19(16)9-18(20)22)17-11-26-28-12-14(10-25-21(17)28)27-6-3-13(23)4-7-27/h2,5,8-13H,3-4,6-7,23H2,1H3.
What are the key properties of 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine?
1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine has a molecular weight of 392.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine is sourced from PubChem (CID 142464376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).