8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C21H22F2N4O2 — CID 71479015

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C21H22F2N4O2/c1-13-19(21(28)26-14-5-3-9-24-11-14)27-10-4-8-18(20(27)25-13)29-12-15-16(22)6-2-7-17(15)23/h2,4,6-8,10,14,24H,3,5,9,11-12H2,1H3,(H,26,28)/t14-/m0/s1
InChIKeyDMQGFPMGACFFSL-AWEZNQCLSA-N
MW400.43 g/mol
LogP2.98
Rot. Bonds5

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71479015) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71479015
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C21H22F2N4O2/c1-13-19(21(28)26-14-5-3-9-24-11-14)27-10-4-8-18(20(27)25-13)29-12-15-16(22)6-2-7-17(15)23/h2,4,6-8,10,14,24H,3,5,9,11-12H2,1H3,(H,26,28)/t14-/m0/s1
InChIKeyDMQGFPMGACFFSL-AWEZNQCLSA-N
XLogP2.98
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71479015) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DMQGFPMGACFFSL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-13-19(21(28)26-14-5-3-9-24-11-14)27-10-4-8-18(20(27)25-13)29-12-15-16(22)6-2-7-17(15)23/h2,4,6-8,10,14,24H,3,5,9,11-12H2,1H3,(H,26,28)/t14-/m0/s1.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71479015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).