azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone

C23H24FN5O — CID 58522781

IUPACazocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone
SMILESCn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCCCC3)cc21
InChIInChI=1S/C23H24FN5O/c1-27-19-13-16(23(30)28-11-5-3-2-4-6-12-28)7-9-18(19)22(26-27)20-14-25-21-10-8-17(24)15-29(20)21/h7-10,13-15H,2-6,11-12H2,1H3
InChIKeyLNFQZISFKWDTLB-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.43
Rot. Bonds2

About azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone

azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone (PubChem CID 58522781) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone
PubChem CID58522781
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Nameazocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone
SMILESCn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCCCC3)cc21
InChIInChI=1S/C23H24FN5O/c1-27-19-13-16(23(30)28-11-5-3-2-4-6-12-28)7-9-18(19)22(26-27)20-14-25-21-10-8-17(24)15-29(20)21/h7-10,13-15H,2-6,11-12H2,1H3
InChIKeyLNFQZISFKWDTLB-UHFFFAOYSA-N
XLogP4.43
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone?
The IUPAC name of azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone (CID 58522781) is azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone.
What is the SMILES notation for azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone?
The canonical SMILES for azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone is Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCCCC3)cc21.
What is the InChIKey of azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone?
The InChIKey is LNFQZISFKWDTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-27-19-13-16(23(30)28-11-5-3-2-4-6-12-28)7-9-18(19)22(26-27)20-14-25-21-10-8-17(24)15-29(20)21/h7-10,13-15H,2-6,11-12H2,1H3.
What are the key properties of azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone?
azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone has a molecular weight of 405.48 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone is sourced from PubChem (CID 58522781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).