methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C26H22FN7O4 — CID 146634555

IUPACmethyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3ccc(C(=O)c4cn5c(n4)COCC5)cc3F)cc12
InChIInChI=1S/C26H22FN7O4/c1-33-6-5-21(32-33)31-25-23-16(17(11-28-25)26(36)37-2)10-19(30-23)15-4-3-14(9-18(15)27)24(35)20-12-34-7-8-38-13-22(34)29-20/h3-6,9-12,30H,7-8,13H2,1-2H3,(H,28,31,32)
InChIKeyGSFHQFDLYRRORS-UHFFFAOYSA-N
MW515.51 g/mol
LogP3.59
Rot. Bonds6

About methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146634555) has the molecular formula C26H22FN7O4 and a molecular weight of 515.51 g/mol. Its IUPAC name is methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146634555
Molecular FormulaC26H22FN7O4
Molecular Weight515.51 g/mol
Exact Mass515.17
IUPAC Namemethyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3ccc(C(=O)c4cn5c(n4)COCC5)cc3F)cc12
InChIInChI=1S/C26H22FN7O4/c1-33-6-5-21(32-33)31-25-23-16(17(11-28-25)26(36)37-2)10-19(30-23)15-4-3-14(9-18(15)27)24(35)20-12-34-7-8-38-13-22(34)29-20/h3-6,9-12,30H,7-8,13H2,1-2H3,(H,28,31,32)
InChIKeyGSFHQFDLYRRORS-UHFFFAOYSA-N
XLogP3.59
TPSA128.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-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 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146634555) is methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3ccc(C(=O)c4cn5c(n4)COCC5)cc3F)cc12.
What is the InChIKey of methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is GSFHQFDLYRRORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O4/c1-33-6-5-21(32-33)31-25-23-16(17(11-28-25)26(36)37-2)10-19(30-23)15-4-3-14(9-18(15)27)24(35)20-12-34-7-8-38-13-22(34)29-20/h3-6,9-12,30H,7-8,13H2,1-2H3,(H,28,31,32).
What are the key properties of methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 515.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbonyl)-2-fluorophenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146634555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).