[2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone

C20H19ClN6O — CID 90412351

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(Cl)cn1)C2
InChIInChI=1S/C20H19ClN6O/c21-13-5-8-19(22-12-13)25-16-11-14-6-7-18(16)26(14)20(28)15-3-1-2-4-17(15)27-23-9-10-24-27/h1-5,8-10,12,14,16,18H,6-7,11H2,(H,22,25)
InChIKeyGZPNPFZMMODXQJ-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.17
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone

[2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 90412351) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID90412351
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(Cl)cn1)C2
InChIInChI=1S/C20H19ClN6O/c21-13-5-8-19(22-12-13)25-16-11-14-6-7-18(16)26(14)20(28)15-3-1-2-4-17(15)27-23-9-10-24-27/h1-5,8-10,12,14,16,18H,6-7,11H2,(H,22,25)
InChIKeyGZPNPFZMMODXQJ-UHFFFAOYSA-N
XLogP3.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 90412351) is [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(Cl)cn1)C2.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is GZPNPFZMMODXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c21-13-5-8-19(22-12-13)25-16-11-14-6-7-18(16)26(14)20(28)15-3-1-2-4-17(15)27-23-9-10-24-27/h1-5,8-10,12,14,16,18H,6-7,11H2,(H,22,25).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone?
[2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 394.87 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 90412351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).