[3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone

C24H22ClN5O2 — CID 171355582

IUPAC[3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Nc2[nH]nc3ncc(Cc4cccc(Cl)c4)cc23)c1)N1CCOCC1
InChIInChI=1S/C24H22ClN5O2/c25-19-5-1-3-16(12-19)11-17-13-21-22(26-15-17)28-29-23(21)27-20-6-2-4-18(14-20)24(31)30-7-9-32-10-8-30/h1-6,12-15H,7-11H2,(H2,26,27,28,29)
InChIKeyLHTSBEPBQXPFGV-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.42
Rot. Bonds5

About [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone

[3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 171355582) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID171355582
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name[3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Nc2[nH]nc3ncc(Cc4cccc(Cl)c4)cc23)c1)N1CCOCC1
InChIInChI=1S/C24H22ClN5O2/c25-19-5-1-3-16(12-19)11-17-13-21-22(26-15-17)28-29-23(21)27-20-6-2-4-18(14-20)24(31)30-7-9-32-10-8-30/h1-6,12-15H,7-11H2,(H2,26,27,28,29)
InChIKeyLHTSBEPBQXPFGV-UHFFFAOYSA-N
XLogP4.42
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 171357432
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
N-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103815
[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184630
N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46964376
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55868165
N-[2-(3-chlorophenyl)ethyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103786
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117

Frequently Asked Questions

What is the IUPAC name of [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 171355582) is [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(Nc2[nH]nc3ncc(Cc4cccc(Cl)c4)cc23)c1)N1CCOCC1.
What is the InChIKey of [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is LHTSBEPBQXPFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-19-5-1-3-16(12-19)11-17-13-21-22(26-15-17)28-29-23(21)27-20-6-2-4-18(14-20)24(31)30-7-9-32-10-8-30/h1-6,12-15H,7-11H2,(H2,26,27,28,29).
What are the key properties of [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
[3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 447.93 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 171355582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).