4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

C21H22N6O — CID 118917379

IUPAC4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESCCn1cc(-c2ccc3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6O/c1-2-26-15-18(14-23-26)16-3-4-17-13-24-27(20(17)11-16)19-5-6-22-21(12-19)25-7-9-28-10-8-25/h3-6,11-15H,2,7-10H2,1H3
InChIKeySQEXHRAAZAWFTL-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.14
Rot. Bonds4

About 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (PubChem CID 118917379) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
PubChem CID118917379
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESCCn1cc(-c2ccc3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6O/c1-2-26-15-18(14-23-26)16-3-4-17-13-24-27(20(17)11-16)19-5-6-22-21(12-19)25-7-9-28-10-8-25/h3-6,11-15H,2,7-10H2,1H3
InChIKeySQEXHRAAZAWFTL-UHFFFAOYSA-N
XLogP3.14
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Entospletinib
CID 59473233
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Vabametkib
CID 73504719
Pyrazolo pyrimidine, 5k
CID 25196900
6-(1H-indol-5-yl)-4-morpholin-4-yl-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidine
CID 44520824
6-{2-Amino-6-[(3r)-3-Methylmorpholin-4-Yl]pyrimidin-4-Yl}-2h-Indazol-3-Amine
CID 46215988
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
3-(5-ethyl-1-methyl-1H-pyrazol-3-yl)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71548179
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (CID 118917379) is 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is CCn1cc(-c2ccc3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1.
What is the InChIKey of 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is SQEXHRAAZAWFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-26-15-18(14-23-26)16-3-4-17-13-24-27(20(17)11-16)19-5-6-22-21(12-19)25-7-9-28-10-8-25/h3-6,11-15H,2,7-10H2,1H3.
What are the key properties of 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 374.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118917379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).