N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C28H27F4N5O2 — CID 163201975

IUPACN-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(C4CCN(c5ccc(OC(F)(F)F)cn5)CC4)cc3F)c(C)nc2c1
InChIInChI=1S/C28H27F4N5O2/c1-17-7-12-37-25(13-17)35-18(2)26(37)27(38)34-15-21-4-3-20(14-23(21)29)19-8-10-36(11-9-19)24-6-5-22(16-33-24)39-28(30,31)32/h3-7,12-14,16,19H,8-11,15H2,1-2H3,(H,34,38)
InChIKeyYNBIXCSXSFDBKV-UHFFFAOYSA-N
MW541.55 g/mol
LogP5.70
Rot. Bonds6

About N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163201975) has the molecular formula C28H27F4N5O2 and a molecular weight of 541.55 g/mol. Its IUPAC name is N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID163201975
Molecular FormulaC28H27F4N5O2
Molecular Weight541.55 g/mol
Exact Mass541.21
IUPAC NameN-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(C4CCN(c5ccc(OC(F)(F)F)cn5)CC4)cc3F)c(C)nc2c1
InChIInChI=1S/C28H27F4N5O2/c1-17-7-12-37-25(13-17)35-18(2)26(37)27(38)34-15-21-4-3-20(14-23(21)29)19-8-10-36(11-9-19)24-6-5-22(16-33-24)39-28(30,31)32/h3-7,12-14,16,19H,8-11,15H2,1-2H3,(H,34,38)
InChIKeyYNBIXCSXSFDBKV-UHFFFAOYSA-N
XLogP5.70
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.55
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 163201975) is N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCc3ccc(C4CCN(c5ccc(OC(F)(F)F)cn5)CC4)cc3F)c(C)nc2c1.
What is the InChIKey of N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YNBIXCSXSFDBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F4N5O2/c1-17-7-12-37-25(13-17)35-18(2)26(37)27(38)34-15-21-4-3-20(14-23(21)29)19-8-10-36(11-9-19)24-6-5-22(16-33-24)39-28(30,31)32/h3-7,12-14,16,19H,8-11,15H2,1-2H3,(H,34,38).
What are the key properties of N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 541.55 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163201975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).