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

C27H32FN7O — CID 142464140

IUPAC1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCC(N(C)C)C6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H32FN7O/c1-32(2)19-7-11-34(16-19)18-5-9-33(10-6-18)20-14-30-27-23(15-31-35(27)17-20)21-4-8-29-25-13-24(28)26(36-3)12-22(21)25/h4,8,12-15,17-19H,5-7,9-11,16H2,1-3H3
InChIKeyRKZFPBKQHNUMGO-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.70
Rot. Bonds5

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

1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 142464140) 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]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID142464140
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]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCC(N(C)C)C6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H32FN7O/c1-32(2)19-7-11-34(16-19)18-5-9-33(10-6-18)20-14-30-27-23(15-31-35(27)17-20)21-4-8-29-25-13-24(28)26(36-3)12-22(21)25/h4,8,12-15,17-19H,5-7,9-11,16H2,1-3H3
InChIKeyRKZFPBKQHNUMGO-UHFFFAOYSA-N
XLogP3.70
TPSA62.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.70
H-Bond Donors ≤ 50
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]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine (CID 142464140) is 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N-dimethylpyrrolidin-3-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]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine is COc1cc2c(-c3cnn4cc(N5CCC(N6CCC(N(C)C)C6)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]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is RKZFPBKQHNUMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O/c1-32(2)19-7-11-34(16-19)18-5-9-33(10-6-18)20-14-30-27-23(15-31-35(27)17-20)21-4-8-29-25-13-24(28)26(36-3)12-22(21)25/h4,8,12-15,17-19H,5-7,9-11,16H2,1-3H3.
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]-N,N-dimethylpyrrolidin-3-amine?
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 489.60 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 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]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 142464140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).