4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C29H31N9O2 — CID 123133255

IUPAC4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCN1CCN(c2ncc(-c3cnc(N4CCOCC4)c4nc(COc5ccc6ccccc6n5)cn34)cn2)CC1
InChIInChI=1S/C29H31N9O2/c1-35-8-10-37(11-9-35)29-31-16-22(17-32-29)25-18-30-27(36-12-14-39-15-13-36)28-33-23(19-38(25)28)20-40-26-7-6-21-4-2-3-5-24(21)34-26/h2-7,16-19H,8-15,20H2,1H3
InChIKeyBJFOBTJUHYJHSK-UHFFFAOYSA-N
MW537.63 g/mol
LogP2.90
Rot. Bonds6

About 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 123133255) has the molecular formula C29H31N9O2 and a molecular weight of 537.63 g/mol. Its IUPAC name is 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID123133255
Molecular FormulaC29H31N9O2
Molecular Weight537.63 g/mol
Exact Mass537.26
IUPAC Name4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCN1CCN(c2ncc(-c3cnc(N4CCOCC4)c4nc(COc5ccc6ccccc6n5)cn34)cn2)CC1
InChIInChI=1S/C29H31N9O2/c1-35-8-10-37(11-9-35)29-31-16-22(17-32-29)25-18-30-27(36-12-14-39-15-13-36)28-33-23(19-38(25)28)20-40-26-7-6-21-4-2-3-5-24(21)34-26/h2-7,16-19H,8-15,20H2,1H3
InChIKeyBJFOBTJUHYJHSK-UHFFFAOYSA-N
XLogP2.90
TPSA97.04 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

CID 42629702
CID 42629702
CID 135336092
CID 135336092
CID 135336101
CID 135336101
CID 25094493
CID 25094493
CID 46178283
CID 46178283
CID 46900150
CID 46900150
CID 46900451
CID 46900451
CID 46900455
CID 46900455
CID 46900457
CID 46900457
CID 46900614
CID 46900614
CID 56648951
CID 56648951
CID 11495114
CID 11495114

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 123133255) is 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is CN1CCN(c2ncc(-c3cnc(N4CCOCC4)c4nc(COc5ccc6ccccc6n5)cn34)cn2)CC1.
What is the InChIKey of 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is BJFOBTJUHYJHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N9O2/c1-35-8-10-37(11-9-35)29-31-16-22(17-32-29)25-18-30-27(36-12-14-39-15-13-36)28-33-23(19-38(25)28)20-40-26-7-6-21-4-2-3-5-24(21)34-26/h2-7,16-19H,8-15,20H2,1H3.
What are the key properties of 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 537.63 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 123133255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).