4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile

C21H19N7O — CID 150118551

IUPAC4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile
SMILESC[C@@H]1COCCN1c1ccc2c(n1)c(-c1ccn[nH]1)nn2-c1ccc(C#N)cc1
InChIInChI=1S/C21H19N7O/c1-14-13-29-11-10-27(14)19-7-6-18-21(24-19)20(17-8-9-23-25-17)26-28(18)16-4-2-15(12-22)3-5-16/h2-9,14H,10-11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyDYTLECHLJODRMJ-CQSZACIVSA-N
MW385.43 g/mol
LogP2.91
Rot. Bonds3

About 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile

4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile (PubChem CID 150118551) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile
PubChem CID150118551
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile
SMILESC[C@@H]1COCCN1c1ccc2c(n1)c(-c1ccn[nH]1)nn2-c1ccc(C#N)cc1
InChIInChI=1S/C21H19N7O/c1-14-13-29-11-10-27(14)19-7-6-18-21(24-19)20(17-8-9-23-25-17)26-28(18)16-4-2-15(12-22)3-5-16/h2-9,14H,10-11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyDYTLECHLJODRMJ-CQSZACIVSA-N
XLogP2.91
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[(3R)-3-methyl-3-(methylideneamino)morpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile
CID 163485824
(3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride
CID 156699429
(3R)-3-methyl-4-[1-methyl-7-(oxolan-3-yl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 156699437
2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone
CID 156699447
(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
(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869597
4-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxane-4-carbonitrile
CID 167020344
4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446512
(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
CID 134446532
(3R)-3-methyl-4-[4-[1-(oxan-4-yl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869465
ethoxy-dihydroxy-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phosphanium
CID 175221055

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile?
The IUPAC name of 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile (CID 150118551) is 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile.
What is the SMILES notation for 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile?
The canonical SMILES for 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile is C[C@@H]1COCCN1c1ccc2c(n1)c(-c1ccn[nH]1)nn2-c1ccc(C#N)cc1.
What is the InChIKey of 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile?
The InChIKey is DYTLECHLJODRMJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N7O/c1-14-13-29-11-10-27(14)19-7-6-18-21(24-19)20(17-8-9-23-25-17)26-28(18)16-4-2-15(12-22)3-5-16/h2-9,14H,10-11,13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile?
4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile has a molecular weight of 385.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile is sourced from PubChem (CID 150118551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).