4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine

C17H17FN4O — CID 118040905

IUPAC4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine
SMILESCc1ccc(-n2nc(N3CCOCC3)c3ncccc32)c(F)c1
InChIInChI=1S/C17H17FN4O/c1-12-4-5-14(13(18)11-12)22-15-3-2-6-19-16(15)17(20-22)21-7-9-23-10-8-21/h2-6,11H,7-10H2,1H3
InChIKeyKXRXGPORYUDBBL-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.70
Rot. Bonds2

About 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine

4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine (PubChem CID 118040905) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine
PubChem CID118040905
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine
SMILESCc1ccc(-n2nc(N3CCOCC3)c3ncccc32)c(F)c1
InChIInChI=1S/C17H17FN4O/c1-12-4-5-14(13(18)11-12)22-15-3-2-6-19-16(15)17(20-22)21-7-9-23-10-8-21/h2-6,11H,7-10H2,1H3
InChIKeyKXRXGPORYUDBBL-UHFFFAOYSA-N
XLogP2.70
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bay-41-8543
CID 9953906
1-[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-4-ylurea
CID 44187604
1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-3-ylurea
CID 44187783
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035
1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888560
1-ethyl-3-[4-[7-[(3S)-3-ethylmorpholin-4-yl]-1-methylpyrazolo[4,5-d]pyrimidin-5-yl]phenyl]urea
CID 51355620
4-[4-[5-(1-Cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine
CID 146316014
3-(4-Fluorophenyl)-1-morpholinoethyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 23647185
Sdccggsk-0000064.P001
CID 44589696
4-(1-Methyl-3-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine
CID 168278076
4-(2-Methyl-3-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine
CID 168281259
N-butyl-4-[2-(4-fluorophenyl)-7-morpholino-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 5275713

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine (CID 118040905) is 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine is Cc1ccc(-n2nc(N3CCOCC3)c3ncccc32)c(F)c1.
What is the InChIKey of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine?
The InChIKey is KXRXGPORYUDBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12-4-5-14(13(18)11-12)22-15-3-2-6-19-16(15)17(20-22)21-7-9-23-10-8-21/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine?
4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine has a molecular weight of 312.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[4,3-b]pyridin-3-yl]morpholine is sourced from PubChem (CID 118040905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).