4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

C29H26ClFN6O — CID 134188458

IUPAC4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C29H26ClFN6O/c30-23-4-5-27(31)26(14-23)28-15-25(24-3-1-6-33-29(24)35-28)21-13-20(16-32-17-21)22-18-34-37(19-22)8-2-7-36-9-11-38-12-10-36/h1,3-6,13-19H,2,7-12H2
InChIKeyBKVFUKBULJJMNS-UHFFFAOYSA-N
MW529.02 g/mol
LogP5.74
Rot. Bonds7

About 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (PubChem CID 134188458) has the molecular formula C29H26ClFN6O and a molecular weight of 529.02 g/mol. Its IUPAC name is 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
PubChem CID134188458
Molecular FormulaC29H26ClFN6O
Molecular Weight529.02 g/mol
Exact Mass528.18
IUPAC Name4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C29H26ClFN6O/c30-23-4-5-27(31)26(14-23)28-15-25(24-3-1-6-33-29(24)35-28)21-13-20(16-32-17-21)22-18-34-37(19-22)8-2-7-36-9-11-38-12-10-36/h1,3-6,13-19H,2,7-12H2
InChIKeyBKVFUKBULJJMNS-UHFFFAOYSA-N
XLogP5.74
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.02
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (CID 134188458) is 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)c2cccnc2n1.
What is the InChIKey of 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The InChIKey is BKVFUKBULJJMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClFN6O/c30-23-4-5-27(31)26(14-23)28-15-25(24-3-1-6-33-29(24)35-28)21-13-20(16-32-17-21)22-18-34-37(19-22)8-2-7-36-9-11-38-12-10-36/h1,3-6,13-19H,2,7-12H2.
What are the key properties of 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine has a molecular weight of 529.02 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 134188458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).