3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

C23H23FN6O — CID 146663932

IUPAC3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CC6C(C5)C6N(C)C)cnc34)ccnc2cc1F
InChIInChI=1S/C23H23FN6O/c1-28(2)22-17-11-29(12-18(17)22)13-8-26-23-16(9-27-30(23)10-13)14-4-5-25-20-7-19(24)21(31-3)6-15(14)20/h4-10,17-18,22H,11-12H2,1-3H3
InChIKeyJKVDONNQEFYHGQ-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.09
Rot. Bonds4

About 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 146663932) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID146663932
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1cc2c(-c3cnn4cc(N5CC6C(C5)C6N(C)C)cnc34)ccnc2cc1F
InChIInChI=1S/C23H23FN6O/c1-28(2)22-17-11-29(12-18(17)22)13-8-26-23-16(9-27-30(23)10-13)14-4-5-25-20-7-19(24)21(31-3)6-15(14)20/h4-10,17-18,22H,11-12H2,1-3H3
InChIKeyJKVDONNQEFYHGQ-UHFFFAOYSA-N
XLogP3.09
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Related Compounds

1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol
CID 142464334
1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylpiperidin-4-amine
CID 142464391
4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464185
7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464191
4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 167058477
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 170442659
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-6-methyl-5-methylideneazocan-4-ol
CID 142464258
2-[3-(7-fluoro-6-methoxy-2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-2-azaspiro[3.3]heptan-6-amine
CID 166562532
2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine
CID 159460269
ethane;7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 142464168
6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464144
7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one
CID 157036696

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 146663932) is 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is COc1cc2c(-c3cnn4cc(N5CC6C(C5)C6N(C)C)cnc34)ccnc2cc1F.
What is the InChIKey of 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is JKVDONNQEFYHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-28(2)22-17-11-29(12-18(17)22)13-8-26-23-16(9-27-30(23)10-13)14-4-5-25-20-7-19(24)21(31-3)6-15(14)20/h4-10,17-18,22H,11-12H2,1-3H3.
What are the key properties of 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 418.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 146663932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).