fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile

C25H22FN5O2 — CID 143178956

IUPACfluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile
SMILESCF.N#Cc1cccc(-c2[nH]nc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1
InChIInChI=1S/C24H19N5O2.CH3F/c25-14-16-3-1-5-18(11-16)22-21-13-20(15-26-23(21)28-27-22)17-4-2-6-19(12-17)24(30)29-7-9-31-10-8-29;1-2/h1-6,11-13,15H,7-10H2,(H,26,27,28);1H3
InChIKeyUAAUZZSJMRODOM-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.22
Rot. Bonds3

About fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile

fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile (PubChem CID 143178956) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Namefluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile
PubChem CID143178956
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Namefluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile
SMILESCF.N#Cc1cccc(-c2[nH]nc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1
InChIInChI=1S/C24H19N5O2.CH3F/c25-14-16-3-1-5-18(11-16)22-21-13-20(15-26-23(21)28-27-22)17-4-2-6-19(12-17)24(30)29-7-9-31-10-8-29;1-2/h1-6,11-13,15H,7-10H2,(H,26,27,28);1H3
InChIKeyUAAUZZSJMRODOM-UHFFFAOYSA-N
XLogP4.22
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70840387
[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59836037
[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 59836049
N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 160529452
3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 164619573
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
[3-[3-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59700143
4,5-dihydroxy-2-[3-(morpholine-4-carbonyl)phenyl]benzene-1,3-dicarbonitrile
CID 90015873
[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374

Frequently Asked Questions

What is the IUPAC name of fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile?
The IUPAC name of fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile (CID 143178956) is fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile.
What is the SMILES notation for fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile?
The canonical SMILES for fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile is CF.N#Cc1cccc(-c2[nH]nc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1.
What is the InChIKey of fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile?
The InChIKey is UAAUZZSJMRODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2.CH3F/c25-14-16-3-1-5-18(11-16)22-21-13-20(15-26-23(21)28-27-22)17-4-2-6-19(12-17)24(30)29-7-9-31-10-8-29;1-2/h1-6,11-13,15H,7-10H2,(H,26,27,28);1H3.
What are the key properties of fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile?
fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile has a molecular weight of 443.48 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 143178956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).