4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine

C23H23FN6O — CID 146316014

IUPAC4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine
SMILESCc1nc2ccc(-c3cnn(C4CC4)c3)nc2n1-c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C23H23FN6O/c1-15-26-21-6-5-20(16-13-25-29(14-16)17-2-3-17)27-23(21)30(15)18-4-7-22(19(24)12-18)28-8-10-31-11-9-28/h4-7,12-14,17H,2-3,8-11H2,1H3
InChIKeyMGFWXJBMHPOZGA-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.90
Rot. Bonds4

About 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine

4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine (PubChem CID 146316014) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine
PubChem CID146316014
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine
SMILESCc1nc2ccc(-c3cnn(C4CC4)c3)nc2n1-c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C23H23FN6O/c1-15-26-21-6-5-20(16-13-25-29(14-16)17-2-3-17)27-23(21)30(15)18-4-7-22(19(24)12-18)28-8-10-31-11-9-28/h4-7,12-14,17H,2-3,8-11H2,1H3
InChIKeyMGFWXJBMHPOZGA-UHFFFAOYSA-N
XLogP3.90
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine?
The IUPAC name of 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine (CID 146316014) is 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine?
The canonical SMILES for 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine is Cc1nc2ccc(-c3cnn(C4CC4)c3)nc2n1-c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine?
The InChIKey is MGFWXJBMHPOZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-15-26-21-6-5-20(16-13-25-29(14-16)17-2-3-17)27-23(21)30(15)18-4-7-22(19(24)12-18)28-8-10-31-11-9-28/h4-7,12-14,17H,2-3,8-11H2,1H3.
What are the key properties of 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine?
4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine has a molecular weight of 418.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(1-cyclopropylpyrazol-4-yl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]morpholine is sourced from PubChem (CID 146316014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).