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

C27H27FN6O3 — CID 146592203

IUPAC7-(cyclopropanecarbonylamino)-2-[3-(8,8-dimethyl-5,6-dihydroimidazo[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)C(C)(C)OCC5)c3F)cc12
InChIInChI=1S/C27H27FN6O3/c1-27(2)26-32-20(13-34(26)9-10-37-27)16-6-4-5-15(21(16)28)19-11-17-18(25(36)29-3)12-30-23(22(17)31-19)33-24(35)14-7-8-14/h4-6,11-14,31H,7-10H2,1-3H3,(H,29,36)(H,30,33,35)
InChIKeyPUMHKAHQXOFYAR-UHFFFAOYSA-N
MW502.55 g/mol
LogP4.21
Rot. Bonds5

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

7-(cyclopropanecarbonylamino)-2-[3-(8,8-dimethyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592203) has the molecular formula C27H27FN6O3 and a molecular weight of 502.55 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[3-(8,8-dimethyl-5,6-dihydroimidazo[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-(8,8-dimethyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592203
Molecular FormulaC27H27FN6O3
Molecular Weight502.55 g/mol
Exact Mass502.21
IUPAC Name7-(cyclopropanecarbonylamino)-2-[3-(8,8-dimethyl-5,6-dihydroimidazo[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)C(C)(C)OCC5)c3F)cc12
InChIInChI=1S/C27H27FN6O3/c1-27(2)26-32-20(13-34(26)9-10-37-27)16-6-4-5-15(21(16)28)19-11-17-18(25(36)29-3)12-30-23(22(17)31-19)33-24(35)14-7-8-14/h4-6,11-14,31H,7-10H2,1-3H3,(H,29,36)(H,30,33,35)
InChIKeyPUMHKAHQXOFYAR-UHFFFAOYSA-N
XLogP4.21
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(cyclopropanecarbonylamino)-2-[3-(8,8-dimethyl-5,6-dihydroimidazo[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-(8,8-dimethyl-5,6-dihydroimidazo[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-(8,8-dimethyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592203) is 7-(cyclopropanecarbonylamino)-2-[3-(8,8-dimethyl-5,6-dihydroimidazo[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-(8,8-dimethyl-5,6-dihydroimidazo[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-(8,8-dimethyl-5,6-dihydroimidazo[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)C(C)(C)OCC5)c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[3-(8,8-dimethyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is PUMHKAHQXOFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O3/c1-27(2)26-32-20(13-34(26)9-10-37-27)16-6-4-5-15(21(16)28)19-11-17-18(25(36)29-3)12-30-23(22(17)31-19)33-24(35)14-7-8-14/h4-6,11-14,31H,7-10H2,1-3H3,(H,29,36)(H,30,33,35).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[3-(8,8-dimethyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[3-(8,8-dimethyl-5,6-dihydroimidazo[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 502.55 g/mol, XLogP of 4.21, 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-(8,8-dimethyl-5,6-dihydroimidazo[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 146592203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).