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

C21H18ClFN6 — CID 146661697

IUPACN-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(NCC3CNC3)cc2n1
InChIInChI=1S/C21H18ClFN6/c22-13-1-2-17(23)15(5-13)21-16(11-27-29-21)18-3-4-19-20(28-18)6-14(10-26-19)25-9-12-7-24-8-12/h1-6,10-12,24-25H,7-9H2,(H,27,29)
InChIKeyFQHCGVOIBJUFOR-UHFFFAOYSA-N
MW408.87 g/mol
LogP4.11
Rot. Bonds5

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

N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine (PubChem CID 146661697) has the molecular formula C21H18ClFN6 and a molecular weight of 408.87 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
PubChem CID146661697
Molecular FormulaC21H18ClFN6
Molecular Weight408.87 g/mol
Exact Mass408.13
IUPAC NameN-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(NCC3CNC3)cc2n1
InChIInChI=1S/C21H18ClFN6/c22-13-1-2-17(23)15(5-13)21-16(11-27-29-21)18-3-4-19-20(28-18)6-14(10-26-19)25-9-12-7-24-8-12/h1-6,10-12,24-25H,7-9H2,(H,27,29)
InChIKeyFQHCGVOIBJUFOR-UHFFFAOYSA-N
XLogP4.11
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.87
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine (CID 146661697) is N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(NCC3CNC3)cc2n1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine?
The InChIKey is FQHCGVOIBJUFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6/c22-13-1-2-17(23)15(5-13)21-16(11-27-29-21)18-3-4-19-20(28-18)6-14(10-26-19)25-9-12-7-24-8-12/h1-6,10-12,24-25H,7-9H2,(H,27,29).
What are the key properties of N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine?
N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine has a molecular weight of 408.87 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).