2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline

C32H40N6O2 — CID 142464235

IUPAC2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cc(OC4CCOCC4)c23)c2ccccc2n1
InChIInChI=1S/C32H40N6O2/c1-23-19-28(27-5-3-4-6-30(27)34-23)29-21-33-38-22-25(20-31(32(29)38)40-26-9-17-39-18-10-26)36-11-7-24(8-12-36)37-15-13-35(2)14-16-37/h3-6,19-22,24,26H,7-18H2,1-2H3
InChIKeyAJXQYQFIIBDKRY-UHFFFAOYSA-N
MW540.71 g/mol
LogP4.63
Rot. Bonds5

About 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline

2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline (PubChem CID 142464235) has the molecular formula C32H40N6O2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline
PubChem CID142464235
Molecular FormulaC32H40N6O2
Molecular Weight540.71 g/mol
Exact Mass540.32
IUPAC Name2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cc(OC4CCOCC4)c23)c2ccccc2n1
InChIInChI=1S/C32H40N6O2/c1-23-19-28(27-5-3-4-6-30(27)34-23)29-21-33-38-22-25(20-31(32(29)38)40-26-9-17-39-18-10-26)36-11-7-24(8-12-36)37-15-13-35(2)14-16-37/h3-6,19-22,24,26H,7-18H2,1-2H3
InChIKeyAJXQYQFIIBDKRY-UHFFFAOYSA-N
XLogP4.63
TPSA58.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.71
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
LY2109761
CID 11655119
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
Dihydropyrrolopyrazole, 14a
CID 21992630
Dihydropyrrolopyrazole, 15c
CID 21992812
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
4-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11604203
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507
2-[[4-[1-(2-(18F)fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 46893367

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The IUPAC name of 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline (CID 142464235) is 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The canonical SMILES for 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cc(OC4CCOCC4)c23)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The InChIKey is AJXQYQFIIBDKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O2/c1-23-19-28(27-5-3-4-6-30(27)34-23)29-21-33-38-22-25(20-31(32(29)38)40-26-9-17-39-18-10-26)36-11-7-24(8-12-36)37-15-13-35(2)14-16-37/h3-6,19-22,24,26H,7-18H2,1-2H3.
What are the key properties of 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline has a molecular weight of 540.71 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 142464235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).