(1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine

C23H24ClF2N7O2 — CID 169267380

IUPAC(1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine
SMILESCC(=N\C1CN(C2COC2)C1)/C(=N\N)c1cc(OCCc2ncc(F)cc2F)c2c(Cl)cnn2c1
InChIInChI=1S/C23H24ClF2N7O2/c1-13(30-16-9-32(10-16)17-11-34-12-17)22(31-27)14-4-21(23-18(24)7-29-33(23)8-14)35-3-2-20-19(26)5-15(25)6-28-20/h4-8,16-17H,2-3,9-12,27H2,1H3/b30-13+,31-22+
InChIKeySOKBXKPQYOIHQJ-BKMISMGWSA-N
MW503.94 g/mol
LogP2.49
Rot. Bonds8

About (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine

(1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine (PubChem CID 169267380) has the molecular formula C23H24ClF2N7O2 and a molecular weight of 503.94 g/mol. Its IUPAC name is (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine.

Molecular Properties

Compound Name(1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine
PubChem CID169267380
Molecular FormulaC23H24ClF2N7O2
Molecular Weight503.94 g/mol
Exact Mass503.16
IUPAC Name(1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine
SMILESCC(=N\C1CN(C2COC2)C1)/C(=N\N)c1cc(OCCc2ncc(F)cc2F)c2c(Cl)cnn2c1
InChIInChI=1S/C23H24ClF2N7O2/c1-13(30-16-9-32(10-16)17-11-34-12-17)22(31-27)14-4-21(23-18(24)7-29-33(23)8-14)35-3-2-20-19(26)5-15(25)6-28-20/h4-8,16-17H,2-3,9-12,27H2,1H3/b30-13+,31-22+
InChIKeySOKBXKPQYOIHQJ-BKMISMGWSA-N
XLogP2.49
TPSA102.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.94
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine?
The IUPAC name of (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine (CID 169267380) is (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine.
What is the SMILES notation for (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine?
The canonical SMILES for (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine is CC(=N\C1CN(C2COC2)C1)/C(=N\N)c1cc(OCCc2ncc(F)cc2F)c2c(Cl)cnn2c1.
What is the InChIKey of (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine?
The InChIKey is SOKBXKPQYOIHQJ-BKMISMGWSA-N. The full InChI is InChI=1S/C23H24ClF2N7O2/c1-13(30-16-9-32(10-16)17-11-34-12-17)22(31-27)14-4-21(23-18(24)7-29-33(23)8-14)35-3-2-20-19(26)5-15(25)6-28-20/h4-8,16-17H,2-3,9-12,27H2,1H3/b30-13+,31-22+.
What are the key properties of (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine?
(1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine has a molecular weight of 503.94 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine is sourced from PubChem (CID 169267380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).