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

C25H23FN6O3 — CID 146592193

IUPAC7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]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)OCCC5)c3F)cc12
InChIInChI=1S/C25H23FN6O3/c1-27-24(34)17-11-28-22(31-23(33)13-6-7-13)21-16(17)10-18(29-21)14-4-2-5-15(20(14)26)19-12-32-8-3-9-35-25(32)30-19/h2,4-5,10-13,29H,3,6-9H2,1H3,(H,27,34)(H,28,31,33)
InChIKeyQAIOXIDHHJARGV-UHFFFAOYSA-N
MW474.50 g/mol
LogP3.72
Rot. Bonds5

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

7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592193) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592193
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]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)OCCC5)c3F)cc12
InChIInChI=1S/C25H23FN6O3/c1-27-24(34)17-11-28-22(31-23(33)13-6-7-13)21-16(17)10-18(29-21)14-4-2-5-15(20(14)26)19-12-32-8-3-9-35-25(32)30-19/h2,4-5,10-13,29H,3,6-9H2,1H3,(H,27,34)(H,28,31,33)
InChIKeyQAIOXIDHHJARGV-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592200
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592237
7-(cyclopropanecarbonylamino)-N-methyl-2-[2-(4-oxopiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146634379
7-(cyclopropanecarbonylamino)-N-methyl-2-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592235
7-(cyclopropanecarbonylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592251
7-(cyclopropanecarbonylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592225
7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592284
methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146635236
N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
CID 146634559
7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146634403
7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146643640
N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
CID 146644362

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592193) is 7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]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-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]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)OCCC5)c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is QAIOXIDHHJARGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3/c1-27-24(34)17-11-28-22(31-23(33)13-6-7-13)21-16(17)10-18(29-21)14-4-2-5-15(20(14)26)19-12-32-8-3-9-35-25(32)30-19/h2,4-5,10-13,29H,3,6-9H2,1H3,(H,27,34)(H,28,31,33).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]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 3.72, 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-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).