2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine

C22H18ClFN6 — CID 146662005

IUPAC2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC4CNCC43)cc2n1
InChIInChI=1S/C22H18ClFN6/c23-13-1-2-17(24)15(5-13)22-16(9-27-29-22)18-3-4-19-20(28-18)6-14(8-26-19)30-11-12-7-25-10-21(12)30/h1-6,8-9,12,21,25H,7,10-11H2,(H,27,29)
InChIKeyWOTXXIRQDBLWAP-UHFFFAOYSA-N
MW420.88 g/mol
LogP3.89
Rot. Bonds3

About 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine (PubChem CID 146662005) has the molecular formula C22H18ClFN6 and a molecular weight of 420.88 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine
PubChem CID146662005
Molecular FormulaC22H18ClFN6
Molecular Weight420.88 g/mol
Exact Mass420.13
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC4CNCC43)cc2n1
InChIInChI=1S/C22H18ClFN6/c23-13-1-2-17(24)15(5-13)22-16(9-27-29-22)18-3-4-19-20(28-18)6-14(8-26-19)30-11-12-7-25-10-21(12)30/h1-6,8-9,12,21,25H,7,10-11H2,(H,27,29)
InChIKeyWOTXXIRQDBLWAP-UHFFFAOYSA-N
XLogP3.89
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine (CID 146662005) is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC4CNCC43)cc2n1.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine?
The InChIKey is WOTXXIRQDBLWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN6/c23-13-1-2-17(24)15(5-13)22-16(9-27-29-22)18-3-4-19-20(28-18)6-14(8-26-19)30-11-12-7-25-10-21(12)30/h1-6,8-9,12,21,25H,7,10-11H2,(H,27,29).
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine has a molecular weight of 420.88 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine is sourced from PubChem (CID 146662005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).