N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C26H24F2N4O4 — CID 118321239

IUPACN-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(C(N)=O)c1
InChIInChI=1S/C26H24F2N4O4/c1-15-22(25(35)31-26(2,14-33)17-7-3-6-16(12-17)23(29)34)32-11-5-10-21(24(32)30-15)36-13-18-19(27)8-4-9-20(18)28/h3-12,33H,13-14H2,1-2H3,(H2,29,34)(H,31,35)/t26-/m0/s1
InChIKeyDVXALIQIDJTJOM-SANMLTNESA-N
MW494.50 g/mol
LogP3.24
Rot. Bonds8

About N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118321239) has the molecular formula C26H24F2N4O4 and a molecular weight of 494.50 g/mol. Its IUPAC name is N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118321239
Molecular FormulaC26H24F2N4O4
Molecular Weight494.50 g/mol
Exact Mass494.18
IUPAC NameN-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(C(N)=O)c1
InChIInChI=1S/C26H24F2N4O4/c1-15-22(25(35)31-26(2,14-33)17-7-3-6-16(12-17)23(29)34)32-11-5-10-21(24(32)30-15)36-13-18-19(27)8-4-9-20(18)28/h3-12,33H,13-14H2,1-2H3,(H2,29,34)(H,31,35)/t26-/m0/s1
InChIKeyDVXALIQIDJTJOM-SANMLTNESA-N
XLogP3.24
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118321239) is N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(C(N)=O)c1.
What is the InChIKey of N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DVXALIQIDJTJOM-SANMLTNESA-N. The full InChI is InChI=1S/C26H24F2N4O4/c1-15-22(25(35)31-26(2,14-33)17-7-3-6-16(12-17)23(29)34)32-11-5-10-21(24(32)30-15)36-13-18-19(27)8-4-9-20(18)28/h3-12,33H,13-14H2,1-2H3,(H2,29,34)(H,31,35)/t26-/m0/s1.
What are the key properties of N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 494.50 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-carbamoylphenyl)-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118321239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).