6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline

C30H28F2N6 — CID 139326547

IUPAC6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCC(N6CCCC6)C5)nc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C30H28F2N6/c1-19-12-24(25-14-22(31)15-26(32)30(25)35-19)27-17-34-29-13-20(6-11-38(27)29)21-4-5-28(33-16-21)37-10-7-23(18-37)36-8-2-3-9-36/h4-6,11-17,23H,2-3,7-10,18H2,1H3
InChIKeyCJROGHGNEHCHSJ-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.87
Rot. Bonds4

About 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline

6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139326547) has the molecular formula C30H28F2N6 and a molecular weight of 510.59 g/mol. Its IUPAC name is 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID139326547
Molecular FormulaC30H28F2N6
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCC(N6CCCC6)C5)nc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C30H28F2N6/c1-19-12-24(25-14-22(31)15-26(32)30(25)35-19)27-17-34-29-13-20(6-11-38(27)29)21-4-5-28(33-16-21)37-10-7-23(18-37)36-8-2-3-9-36/h4-6,11-17,23H,2-3,7-10,18H2,1H3
InChIKeyCJROGHGNEHCHSJ-UHFFFAOYSA-N
XLogP5.87
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139326547) is 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCC(N6CCCC6)C5)nc4)ccn23)c2cc(F)cc(F)c2n1.
What is the InChIKey of 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is CJROGHGNEHCHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6/c1-19-12-24(25-14-22(31)15-26(32)30(25)35-19)27-17-34-29-13-20(6-11-38(27)29)21-4-5-28(33-16-21)37-10-7-23(18-37)36-8-2-3-9-36/h4-6,11-17,23H,2-3,7-10,18H2,1H3.
What are the key properties of 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 510.59 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-methyl-4-[7-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139326547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).