2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane

C31H29F2N5 — CID 139495339

IUPAC2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCC6(CCCNC6)C5)cc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C31H29F2N5/c1-20-13-25(26-15-23(32)16-27(33)30(26)36-20)28-17-35-29-14-22(7-11-38(28)29)21-3-5-24(6-4-21)37-12-9-31(19-37)8-2-10-34-18-31/h3-7,11,13-17,34H,2,8-10,12,18-19H2,1H3
InChIKeyLQRUHHQNCIGFHH-UHFFFAOYSA-N
MW509.60 g/mol
LogP6.38
Rot. Bonds3

About 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane

2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane (PubChem CID 139495339) has the molecular formula C31H29F2N5 and a molecular weight of 509.60 g/mol. Its IUPAC name is 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane
PubChem CID139495339
Molecular FormulaC31H29F2N5
Molecular Weight509.60 g/mol
Exact Mass509.24
IUPAC Name2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCC6(CCCNC6)C5)cc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C31H29F2N5/c1-20-13-25(26-15-23(32)16-27(33)30(26)36-20)28-17-35-29-14-22(7-11-38(28)29)21-3-5-24(6-4-21)37-12-9-31(19-37)8-2-10-34-18-31/h3-7,11,13-17,34H,2,8-10,12,18-19H2,1H3
InChIKeyLQRUHHQNCIGFHH-UHFFFAOYSA-N
XLogP6.38
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.60
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane (CID 139495339) is 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane is Cc1cc(-c2cnc3cc(-c4ccc(N5CCC6(CCCNC6)C5)cc4)ccn23)c2cc(F)cc(F)c2n1.
What is the InChIKey of 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is LQRUHHQNCIGFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N5/c1-20-13-25(26-15-23(32)16-27(33)30(26)36-20)28-17-35-29-14-22(7-11-38(28)29)21-3-5-24(6-4-21)37-12-9-31(19-37)8-2-10-34-18-31/h3-7,11,13-17,34H,2,8-10,12,18-19H2,1H3.
What are the key properties of 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane?
2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 509.60 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6,8-difluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 139495339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).