4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine

C17H17ClN4O — CID 53389778

IUPAC4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine
SMILESCC1CN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CCO1
InChIInChI=1S/C17H17ClN4O/c1-12-11-21(8-9-23-12)17-15-6-7-19-10-16(15)22(20-17)14-4-2-13(18)3-5-14/h2-7,10,12H,8-9,11H2,1H3
InChIKeyYGVBRPWQUGKONO-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.30
Rot. Bonds2

About 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine

4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine (PubChem CID 53389778) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine
PubChem CID53389778
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine
SMILESCC1CN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CCO1
InChIInChI=1S/C17H17ClN4O/c1-12-11-21(8-9-23-12)17-15-6-7-19-10-16(15)22(20-17)14-4-2-13(18)3-5-14/h2-7,10,12H,8-9,11H2,1H3
InChIKeyYGVBRPWQUGKONO-UHFFFAOYSA-N
XLogP3.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine
CID 2940041
4-[3-[1-[(2-Chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67448095
3,4-dimethyl-7-(4-morpholinyl)-2-phenyl-2H-pyrazolo[3,4-d]pyridazine
CID 848992
2-(3-chlorophenyl)-3,4-dimethyl-7-(4-morpholinyl)-2H-pyrazolo[3,4-d]pyridazine
CID 848993
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1307598
2-(2,4-Dichlorophenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 56662937
4-[4-Chloro-3-(7-methyl-2,4,5,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]morpholine
CID 118736440
1-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 3241906
(2S,6R)-4-[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]-2,6-dimethylmorpholine
CID 172458673
4-({5-[3-(4-Chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyridin-2-yl}methyl)morpholine
CID 86268575

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine (CID 53389778) is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine is CC1CN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CCO1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine?
The InChIKey is YGVBRPWQUGKONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-12-11-21(8-9-23-12)17-15-6-7-19-10-16(15)22(20-17)14-4-2-13(18)3-5-14/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine?
4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine has a molecular weight of 328.80 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-2-methylmorpholine is sourced from PubChem (CID 53389778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).