8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C24H21FN6O — CID 90175298

IUPAC8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCc1cc(F)ccc1C1OCCn2cc(-c3cc4nc(-c5cnn(C)c5)ccc4[nH]3)nc21
InChIInChI=1S/C24H21FN6O/c1-14-9-16(25)3-4-17(14)23-24-29-22(13-31(24)7-8-32-23)21-10-20-19(28-21)6-5-18(27-20)15-11-26-30(2)12-15/h3-6,9-13,23,28H,7-8H2,1-2H3
InChIKeyMRTZVZIUHKXYDN-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.39
Rot. Bonds3

About 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 90175298) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID90175298
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCc1cc(F)ccc1C1OCCn2cc(-c3cc4nc(-c5cnn(C)c5)ccc4[nH]3)nc21
InChIInChI=1S/C24H21FN6O/c1-14-9-16(25)3-4-17(14)23-24-29-22(13-31(24)7-8-32-23)21-10-20-19(28-21)6-5-18(27-20)15-11-26-30(2)12-15/h3-6,9-13,23,28H,7-8H2,1-2H3
InChIKeyMRTZVZIUHKXYDN-UHFFFAOYSA-N
XLogP4.39
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 90175298) is 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is Cc1cc(F)ccc1C1OCCn2cc(-c3cc4nc(-c5cnn(C)c5)ccc4[nH]3)nc21.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is MRTZVZIUHKXYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-14-9-16(25)3-4-17(14)23-24-29-22(13-31(24)7-8-32-23)21-10-20-19(28-21)6-5-18(27-20)15-11-26-30(2)12-15/h3-6,9-13,23,28H,7-8H2,1-2H3.
What are the key properties of 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 428.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 90175298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).