4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine

C22H24N6O — CID 139406028

IUPAC4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine
SMILESCc1cnn(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOCC2C)c1
InChIInChI=1S/C22H24N6O/c1-14-12-25-27(3)21(14)16-10-19(17-4-6-23-22-18(17)5-7-24-22)26-20(11-16)28-8-9-29-13-15(28)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,23,24)
InChIKeyPEWKCRRJLTVAPC-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.56
Rot. Bonds3

About 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine

4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine (PubChem CID 139406028) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine
PubChem CID139406028
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine
SMILESCc1cnn(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOCC2C)c1
InChIInChI=1S/C22H24N6O/c1-14-12-25-27(3)21(14)16-10-19(17-4-6-23-22-18(17)5-7-24-22)26-20(11-16)28-8-9-29-13-15(28)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,23,24)
InChIKeyPEWKCRRJLTVAPC-UHFFFAOYSA-N
XLogP3.56
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine?
The IUPAC name of 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine (CID 139406028) is 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine is Cc1cnn(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOCC2C)c1.
What is the InChIKey of 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine?
The InChIKey is PEWKCRRJLTVAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-12-25-27(3)21(14)16-10-19(17-4-6-23-22-18(17)5-7-24-22)26-20(11-16)28-8-9-29-13-15(28)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,23,24).
What are the key properties of 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine?
4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine has a molecular weight of 388.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 139406028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).