4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine

C18H20N8O — CID 156766831

IUPAC4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(-c2ccnn2C)c2n[nH]c(-c3cnc[nH]3)c2n1
InChIInChI=1S/C18H20N8O/c1-11-9-27-6-5-26(11)15-7-12(14-3-4-21-25(14)2)16-18(22-15)17(24-23-16)13-8-19-10-20-13/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyKWJBWQUBYIFQNZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.97
Rot. Bonds3

About 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine

4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine (PubChem CID 156766831) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
PubChem CID156766831
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(-c2ccnn2C)c2n[nH]c(-c3cnc[nH]3)c2n1
InChIInChI=1S/C18H20N8O/c1-11-9-27-6-5-26(11)15-7-12(14-3-4-21-25(14)2)16-18(22-15)17(24-23-16)13-8-19-10-20-13/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyKWJBWQUBYIFQNZ-UHFFFAOYSA-N
XLogP1.97
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
CID 175136170
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
CID 170928633
(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825
3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]morpholine
CID 155454334
iodo-[5-[5-[(3R)-3-methylmorpholin-4-yl]-7-(2-methylpyrazol-3-yl)-[1,2]thiazolo[4,5-b]pyridin-3-yl]pyrazol-1-yl]phosphane
CID 170222111
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 146555770
N-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 178015819
3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
(3R)-3-methyl-4-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869658
(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 151175498

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine?
The IUPAC name of 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine (CID 156766831) is 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine?
The canonical SMILES for 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine is CC1COCCN1c1cc(-c2ccnn2C)c2n[nH]c(-c3cnc[nH]3)c2n1.
What is the InChIKey of 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine?
The InChIKey is KWJBWQUBYIFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-11-9-27-6-5-26(11)15-7-12(14-3-4-21-25(14)2)16-18(22-15)17(24-23-16)13-8-19-10-20-13/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,19,20)(H,23,24).
What are the key properties of 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine?
4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine has a molecular weight of 364.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 156766831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).