1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine

C22H20ClFN6 — CID 146661727

IUPAC1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C1
InChIInChI=1S/C22H20ClFN6/c1-29(2)15-11-30(12-15)14-8-21-20(25-9-14)6-5-19(27-21)17-10-26-28-22(17)16-7-13(23)3-4-18(16)24/h3-10,15H,11-12H2,1-2H3,(H,26,28)
InChIKeyMFVNLNRUKHIGBE-UHFFFAOYSA-N
MW422.90 g/mol
LogP4.23
Rot. Bonds4

About 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine

1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine (PubChem CID 146661727) has the molecular formula C22H20ClFN6 and a molecular weight of 422.90 g/mol. Its IUPAC name is 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine
PubChem CID146661727
Molecular FormulaC22H20ClFN6
Molecular Weight422.90 g/mol
Exact Mass422.14
IUPAC Name1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C1
InChIInChI=1S/C22H20ClFN6/c1-29(2)15-11-30(12-15)14-8-21-20(25-9-14)6-5-19(27-21)17-10-26-28-22(17)16-7-13(23)3-4-18(16)24/h3-10,15H,11-12H2,1-2H3,(H,26,28)
InChIKeyMFVNLNRUKHIGBE-UHFFFAOYSA-N
XLogP4.23
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine (CID 146661727) is 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine is CN(C)C1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C1.
What is the InChIKey of 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine?
The InChIKey is MFVNLNRUKHIGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6/c1-29(2)15-11-30(12-15)14-8-21-20(25-9-14)6-5-19(27-21)17-10-26-28-22(17)16-7-13(23)3-4-18(16)24/h3-10,15H,11-12H2,1-2H3,(H,26,28).
What are the key properties of 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine?
1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine has a molecular weight of 422.90 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 146661727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).