N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine

C26H32FN7O — CID 142464222

IUPACN'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N(C)CCN(C)C)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H32FN7O/c1-31(2)11-12-32(3)18-6-9-33(10-7-18)19-15-29-26-22(16-30-34(26)17-19)20-5-8-28-24-14-23(27)25(35-4)13-21(20)24/h5,8,13-18H,6-7,9-12H2,1-4H3
InChIKeyUZPMDDSKZQFKPN-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.55
Rot. Bonds7

About N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 142464222) has the molecular formula C26H32FN7O and a molecular weight of 477.59 g/mol. Its IUPAC name is N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID142464222
Molecular FormulaC26H32FN7O
Molecular Weight477.59 g/mol
Exact Mass477.27
IUPAC NameN'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N(C)CCN(C)C)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C26H32FN7O/c1-31(2)11-12-32(3)18-6-9-33(10-7-18)19-15-29-26-22(16-30-34(26)17-19)20-5-8-28-24-14-23(27)25(35-4)13-21(20)24/h5,8,13-18H,6-7,9-12H2,1-4H3
InChIKeyUZPMDDSKZQFKPN-UHFFFAOYSA-N
XLogP3.55
TPSA62.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 142464222) is N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is COc1cc2c(-c3cnn4cc(N5CCC(N(C)CCN(C)C)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is UZPMDDSKZQFKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O/c1-31(2)11-12-32(3)18-6-9-33(10-7-18)19-15-29-26-22(16-30-34(26)17-19)20-5-8-28-24-14-23(27)25(35-4)13-21(20)24/h5,8,13-18H,6-7,9-12H2,1-4H3.
What are the key properties of N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 477.59 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 142464222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).