2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine

C26H32N6O2 — CID 159460269

IUPAC2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(OCCN(C)C)CC5)cnc34)ccnc2cc1C
InChIInChI=1S/C26H32N6O2/c1-18-13-24-22(14-25(18)33-4)21(5-8-27-24)23-16-29-32-17-19(15-28-26(23)32)31-9-6-20(7-10-31)34-12-11-30(2)3/h5,8,13-17,20H,6-7,9-12H2,1-4H3
InChIKeyVPPVBTBMDFWDTQ-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.81
Rot. Bonds7

About 2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine

2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine (PubChem CID 159460269) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine
PubChem CID159460269
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(OCCN(C)C)CC5)cnc34)ccnc2cc1C
InChIInChI=1S/C26H32N6O2/c1-18-13-24-22(14-25(18)33-4)21(5-8-27-24)23-16-29-32-17-19(15-28-26(23)32)31-9-6-20(7-10-31)34-12-11-30(2)3/h5,8,13-17,20H,6-7,9-12H2,1-4H3
InChIKeyVPPVBTBMDFWDTQ-UHFFFAOYSA-N
XLogP3.81
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 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) is 2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine is COc1cc2c(-c3cnn4cc(N5CCC(OCCN(C)C)CC5)cnc34)ccnc2cc1C.
What is the InChIKey of 2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine?
The InChIKey is VPPVBTBMDFWDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-18-13-24-22(14-25(18)33-4)21(5-8-27-24)23-16-29-32-17-19(15-28-26(23)32)31-9-6-20(7-10-31)34-12-11-30(2)3/h5,8,13-17,20H,6-7,9-12H2,1-4H3.
What are the key properties of 2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine?
2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine has a molecular weight of 460.58 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 159460269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).