4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine

C21H21N5O — CID 138379736

IUPAC4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine
SMILESc1cc(Cn2ccnc2-c2ccc(N3CCOCC3)cc2)c2ccnn2c1
InChIInChI=1S/C21H21N5O/c1-2-18(20-7-8-23-26(20)10-1)16-25-11-9-22-21(25)17-3-5-19(6-4-17)24-12-14-27-15-13-24/h1-11H,12-16H2
InChIKeyDBTNNTBJBHGXGG-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.08
Rot. Bonds4

About 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine

4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine (PubChem CID 138379736) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine
PubChem CID138379736
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine
SMILESc1cc(Cn2ccnc2-c2ccc(N3CCOCC3)cc2)c2ccnn2c1
InChIInChI=1S/C21H21N5O/c1-2-18(20-7-8-23-26(20)10-1)16-25-11-9-22-21(25)17-3-5-19(6-4-17)24-12-14-27-15-13-24/h1-11H,12-16H2
InChIKeyDBTNNTBJBHGXGG-UHFFFAOYSA-N
XLogP3.08
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine (CID 138379736) is 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine is c1cc(Cn2ccnc2-c2ccc(N3CCOCC3)cc2)c2ccnn2c1.
What is the InChIKey of 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine?
The InChIKey is DBTNNTBJBHGXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-2-18(20-7-8-23-26(20)10-1)16-25-11-9-22-21(25)17-3-5-19(6-4-17)24-12-14-27-15-13-24/h1-11H,12-16H2.
What are the key properties of 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine?
4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine has a molecular weight of 359.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]phenyl]morpholine is sourced from PubChem (CID 138379736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).