methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate

C24H19F2N7O3 — CID 171799357

IUPACmethyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
SMILESCOCc1nnc(-c2ccc3ncc(-c4ccc(NC(=O)OC)nc4)n3c2)n1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H19F2N7O3/c1-35-13-22-30-31-23(33(22)16-5-6-17(25)18(26)9-16)15-4-8-21-28-11-19(32(21)12-15)14-3-7-20(27-10-14)29-24(34)36-2/h3-12H,13H2,1-2H3,(H,27,29,34)
InChIKeyNVJCXQFMTHJABO-UHFFFAOYSA-N
MW491.46 g/mol
LogP4.25
Rot. Bonds6

About methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate

methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (PubChem CID 171799357) has the molecular formula C24H19F2N7O3 and a molecular weight of 491.46 g/mol. Its IUPAC name is methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
PubChem CID171799357
Molecular FormulaC24H19F2N7O3
Molecular Weight491.46 g/mol
Exact Mass491.15
IUPAC Namemethyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
SMILESCOCc1nnc(-c2ccc3ncc(-c4ccc(NC(=O)OC)nc4)n3c2)n1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H19F2N7O3/c1-35-13-22-30-31-23(33(22)16-5-6-17(25)18(26)9-16)15-4-8-21-28-11-19(32(21)12-15)14-3-7-20(27-10-14)29-24(34)36-2/h3-12H,13H2,1-2H3,(H,27,29,34)
InChIKeyNVJCXQFMTHJABO-UHFFFAOYSA-N
XLogP4.25
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (CID 171799357) is methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate is COCc1nnc(-c2ccc3ncc(-c4ccc(NC(=O)OC)nc4)n3c2)n1-c1ccc(F)c(F)c1.
What is the InChIKey of methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
The InChIKey is NVJCXQFMTHJABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O3/c1-35-13-22-30-31-23(33(22)16-5-6-17(25)18(26)9-16)15-4-8-21-28-11-19(32(21)12-15)14-3-7-20(27-10-14)29-24(34)36-2/h3-12H,13H2,1-2H3,(H,27,29,34).
What are the key properties of methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate has a molecular weight of 491.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[6-[4-(3,4-difluorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 171799357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).