7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C25H23FN6O3 — CID 146592194

IUPAC7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12
InChIInChI=1S/C25H23FN6O3/c1-27-25(34)17-10-28-23(31-24(33)13-5-6-13)22-16(17)9-18(30-22)14-3-2-4-15(21(14)26)19-11-32-7-8-35-12-20(32)29-19/h2-4,9-11,13,30H,5-8,12H2,1H3,(H,27,34)(H,28,31,33)
InChIKeyVJCVHPQTJHLAGI-UHFFFAOYSA-N
MW474.50 g/mol
LogP3.47
Rot. Bonds5

About 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592194) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592194
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12
InChIInChI=1S/C25H23FN6O3/c1-27-25(34)17-10-28-23(31-24(33)13-5-6-13)22-16(17)9-18(30-22)14-3-2-4-15(21(14)26)19-11-32-7-8-35-12-20(32)29-19/h2-4,9-11,13,30H,5-8,12H2,1H3,(H,27,34)(H,28,31,33)
InChIKeyVJCVHPQTJHLAGI-UHFFFAOYSA-N
XLogP3.47
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592194) is 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cn5c(n4)COCC5)c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is VJCVHPQTJHLAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3/c1-27-25(34)17-10-28-23(31-24(33)13-5-6-13)22-16(17)9-18(30-22)14-3-2-4-15(21(14)26)19-11-32-7-8-35-12-20(32)29-19/h2-4,9-11,13,30H,5-8,12H2,1H3,(H,27,34)(H,28,31,33).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 474.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).