4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline

C32H28FN7O — CID 139326525

IUPAC4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCN(c7ncc(F)cn7)CC6)cc5)ccn34)c2c1
InChIInChI=1S/C32H28FN7O/c1-21-15-28(27-17-26(41-2)7-8-29(27)37-21)30-20-34-31-16-23(9-10-40(30)31)22-3-5-25(6-4-22)38-11-13-39(14-12-38)32-35-18-24(33)19-36-32/h3-10,15-20H,11-14H2,1-2H3
InChIKeyHFVRGIIXMIACIN-UHFFFAOYSA-N
MW545.62 g/mol
LogP5.79
Rot. Bonds5

About 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline

4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline (PubChem CID 139326525) has the molecular formula C32H28FN7O and a molecular weight of 545.62 g/mol. Its IUPAC name is 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline
PubChem CID139326525
Molecular FormulaC32H28FN7O
Molecular Weight545.62 g/mol
Exact Mass545.23
IUPAC Name4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCN(c7ncc(F)cn7)CC6)cc5)ccn34)c2c1
InChIInChI=1S/C32H28FN7O/c1-21-15-28(27-17-26(41-2)7-8-29(27)37-21)30-20-34-31-16-23(9-10-40(30)31)22-3-5-25(6-4-22)38-11-13-39(14-12-38)32-35-18-24(33)19-36-32/h3-10,15-20H,11-14H2,1-2H3
InChIKeyHFVRGIIXMIACIN-UHFFFAOYSA-N
XLogP5.79
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.62
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline?
The IUPAC name of 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline (CID 139326525) is 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline.
What is the SMILES notation for 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline?
The canonical SMILES for 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline is COc1ccc2nc(C)cc(-c3cnc4cc(-c5ccc(N6CCN(c7ncc(F)cn7)CC6)cc5)ccn34)c2c1.
What is the InChIKey of 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline?
The InChIKey is HFVRGIIXMIACIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN7O/c1-21-15-28(27-17-26(41-2)7-8-29(27)37-21)30-20-34-31-16-23(9-10-40(30)31)22-3-5-25(6-4-22)38-11-13-39(14-12-38)32-35-18-24(33)19-36-32/h3-10,15-20H,11-14H2,1-2H3.
What are the key properties of 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline?
4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline has a molecular weight of 545.62 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]-6-methoxy-2-methylquinoline is sourced from PubChem (CID 139326525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).