4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine

C23H20N6O — CID 161193635

IUPAC4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC1=NCC(c2nccc3c(-c4ccnc5[nH]ccc45)cc(N4CCOCC4)nc23)=C1
InChIInChI=1S/C23H20N6O/c1-5-24-14-15(1)21-22-17(3-6-25-21)19(13-20(28-22)29-9-11-30-12-10-29)16-2-7-26-23-18(16)4-8-27-23/h1-8,13H,9-12,14H2,(H,26,27)
InChIKeyUUBBCDBSDXIMCN-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.48
Rot. Bonds3

About 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 161193635) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID161193635
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC1=NCC(c2nccc3c(-c4ccnc5[nH]ccc45)cc(N4CCOCC4)nc23)=C1
InChIInChI=1S/C23H20N6O/c1-5-24-14-15(1)21-22-17(3-6-25-21)19(13-20(28-22)29-9-11-30-12-10-29)16-2-7-26-23-18(16)4-8-27-23/h1-8,13H,9-12,14H2,(H,26,27)
InChIKeyUUBBCDBSDXIMCN-UHFFFAOYSA-N
XLogP3.48
TPSA79.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 147119502
4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine
CID 148960361
5-methyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one
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4-[4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869383
4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine
CID 130287257
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CID 135121259
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CID 118869521
4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine
CID 141432896
4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869556
4-[4-(2-fluoro-4-methylsulfinylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 166750313
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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine (CID 161193635) is 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine is C1=NCC(c2nccc3c(-c4ccnc5[nH]ccc45)cc(N4CCOCC4)nc23)=C1.
What is the InChIKey of 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is UUBBCDBSDXIMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-5-24-14-15(1)21-22-17(3-6-25-21)19(13-20(28-22)29-9-11-30-12-10-29)16-2-7-26-23-18(16)4-8-27-23/h1-8,13H,9-12,14H2,(H,26,27).
What are the key properties of 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 396.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 161193635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).