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

C25H22FN7O3 — CID 171799252

IUPACmethyl N-[5-[6-[4-(4-fluoro-3-methylphenyl)-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(C)c1
InChIInChI=1S/C25H22FN7O3/c1-15-10-18(6-7-19(15)26)33-23(14-35-2)30-31-24(33)17-5-9-22-28-12-20(32(22)13-17)16-4-8-21(27-11-16)29-25(34)36-3/h4-13H,14H2,1-3H3,(H,27,29,34)
InChIKeyWLVYHPGTDRLKBK-UHFFFAOYSA-N
MW487.50 g/mol
LogP4.42
Rot. Bonds6

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

methyl N-[5-[6-[4-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (PubChem CID 171799252) has the molecular formula C25H22FN7O3 and a molecular weight of 487.50 g/mol. Its IUPAC name is methyl N-[5-[6-[4-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
PubChem CID171799252
Molecular FormulaC25H22FN7O3
Molecular Weight487.50 g/mol
Exact Mass487.18
IUPAC Namemethyl N-[5-[6-[4-(4-fluoro-3-methylphenyl)-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(C)c1
InChIInChI=1S/C25H22FN7O3/c1-15-10-18(6-7-19(15)26)33-23(14-35-2)30-31-24(33)17-5-9-22-28-12-20(32(22)13-17)16-4-8-21(27-11-16)29-25(34)36-3/h4-13H,14H2,1-3H3,(H,27,29,34)
InChIKeyWLVYHPGTDRLKBK-UHFFFAOYSA-N
XLogP4.42
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl N-[5-[6-[4-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (CID 171799252) is methyl N-[5-[6-[4-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-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(C)c1.
What is the InChIKey of methyl N-[5-[6-[4-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
The InChIKey is WLVYHPGTDRLKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O3/c1-15-10-18(6-7-19(15)26)33-23(14-35-2)30-31-24(33)17-5-9-22-28-12-20(32(22)13-17)16-4-8-21(27-11-16)29-25(34)36-3/h4-13H,14H2,1-3H3,(H,27,29,34).
What are the key properties of methyl N-[5-[6-[4-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?
methyl N-[5-[6-[4-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate has a molecular weight of 487.50 g/mol, XLogP of 4.42, 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-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 171799252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).