methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C27H25F2N5O4 — CID 166775107

IUPACmethyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4ccc(C(N)=O)cn4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C27H25F2N5O4/c1-15-5-6-34-22(12-18-14-33(7-8-38-18)27(36)37-2)25(32-23(34)9-15)24-19(28)10-17(11-20(24)29)21-4-3-16(13-31-21)26(30)35/h3-6,9-11,13,18H,7-8,12,14H2,1-2H3,(H2,30,35)/t18-/m0/s1
InChIKeyYYWHCKZYOIPLQV-SFHVURJKSA-N
MW521.52 g/mol
LogP3.76
Rot. Bonds5

About methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 166775107) has the molecular formula C27H25F2N5O4 and a molecular weight of 521.52 g/mol. Its IUPAC name is methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
PubChem CID166775107
Molecular FormulaC27H25F2N5O4
Molecular Weight521.52 g/mol
Exact Mass521.19
IUPAC Namemethyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4ccc(C(N)=O)cn4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C27H25F2N5O4/c1-15-5-6-34-22(12-18-14-33(7-8-38-18)27(36)37-2)25(32-23(34)9-15)24-19(28)10-17(11-20(24)29)21-4-3-16(13-31-21)26(30)35/h3-6,9-11,13,18H,7-8,12,14H2,1-2H3,(H2,30,35)/t18-/m0/s1
InChIKeyYYWHCKZYOIPLQV-SFHVURJKSA-N
XLogP3.76
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The IUPAC name of methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 166775107) is methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The canonical SMILES for methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4ccc(C(N)=O)cn4)cc3F)nc3cc(C)ccn23)C1.
What is the InChIKey of methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The InChIKey is YYWHCKZYOIPLQV-SFHVURJKSA-N. The full InChI is InChI=1S/C27H25F2N5O4/c1-15-5-6-34-22(12-18-14-33(7-8-38-18)27(36)37-2)25(32-23(34)9-15)24-19(28)10-17(11-20(24)29)21-4-3-16(13-31-21)26(30)35/h3-6,9-11,13,18H,7-8,12,14H2,1-2H3,(H2,30,35)/t18-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 521.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-[4-(5-carbamoyl-2-pyridinyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 166775107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).