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

C22H24N6O2 — CID 155585638

IUPAC4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine
SMILESCOc1ccc(-c2cc(N3CCOCC3C)nc3c2c(C)cn3-c2ccn[nH]2)cn1
InChIInChI=1S/C22H24N6O2/c1-14-12-28(18-6-7-24-26-18)22-21(14)17(16-4-5-20(29-3)23-11-16)10-19(25-22)27-8-9-30-13-15(27)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,24,26)
InChIKeyNPAFTLSHAMCHOT-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.35
Rot. Bonds4

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

4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine (PubChem CID 155585638) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine
PubChem CID155585638
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine
SMILESCOc1ccc(-c2cc(N3CCOCC3C)nc3c2c(C)cn3-c2ccn[nH]2)cn1
InChIInChI=1S/C22H24N6O2/c1-14-12-28(18-6-7-24-26-18)22-21(14)17(16-4-5-20(29-3)23-11-16)10-19(25-22)27-8-9-30-13-15(27)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,24,26)
InChIKeyNPAFTLSHAMCHOT-UHFFFAOYSA-N
XLogP3.35
TPSA81.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230316
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178066128
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 138610653
2-fluoro-4-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 130245718
4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230353
(3R)-4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 130228884
3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313312
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 130245734
4-[4-isoquinolin-4-yl-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230357

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine?
The IUPAC name of 4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine (CID 155585638) is 4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine is COc1ccc(-c2cc(N3CCOCC3C)nc3c2c(C)cn3-c2ccn[nH]2)cn1.
What is the InChIKey of 4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine?
The InChIKey is NPAFTLSHAMCHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-12-28(18-6-7-24-26-18)22-21(14)17(16-4-5-20(29-3)23-11-16)10-19(25-22)27-8-9-30-13-15(27)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,24,26).
What are the key properties of 4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine?
4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine has a molecular weight of 404.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine is sourced from PubChem (CID 155585638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).