azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone

C27H30FN7O2 — CID 58522805

IUPACazepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone
SMILESCN1CCN(C(=O)n2nc(-c3cnc4ccc(F)cn34)c3ccc(C(=O)N4CCCCCC4)cc32)CC1
InChIInChI=1S/C27H30FN7O2/c1-31-12-14-33(15-13-31)27(37)35-22-16-19(26(36)32-10-4-2-3-5-11-32)6-8-21(22)25(30-35)23-17-29-24-9-7-20(28)18-34(23)24/h6-9,16-18H,2-5,10-15H2,1H3
InChIKeySZQAEQZORIFLTJ-UHFFFAOYSA-N
MW503.58 g/mol
LogP3.72
Rot. Bonds2

About azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone

azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone (PubChem CID 58522805) has the molecular formula C27H30FN7O2 and a molecular weight of 503.58 g/mol. Its IUPAC name is azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone
PubChem CID58522805
Molecular FormulaC27H30FN7O2
Molecular Weight503.58 g/mol
Exact Mass503.24
IUPAC Nameazepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone
SMILESCN1CCN(C(=O)n2nc(-c3cnc4ccc(F)cn34)c3ccc(C(=O)N4CCCCCC4)cc32)CC1
InChIInChI=1S/C27H30FN7O2/c1-31-12-14-33(15-13-31)27(37)35-22-16-19(26(36)32-10-4-2-3-5-11-32)6-8-21(22)25(30-35)23-17-29-24-9-7-20(28)18-34(23)24/h6-9,16-18H,2-5,10-15H2,1H3
InChIKeySZQAEQZORIFLTJ-UHFFFAOYSA-N
XLogP3.72
TPSA78.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone (CID 58522805) is azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone is CN1CCN(C(=O)n2nc(-c3cnc4ccc(F)cn34)c3ccc(C(=O)N4CCCCCC4)cc32)CC1.
What is the InChIKey of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone?
The InChIKey is SZQAEQZORIFLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O2/c1-31-12-14-33(15-13-31)27(37)35-22-16-19(26(36)32-10-4-2-3-5-11-32)6-8-21(22)25(30-35)23-17-29-24-9-7-20(28)18-34(23)24/h6-9,16-18H,2-5,10-15H2,1H3.
What are the key properties of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone?
azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone has a molecular weight of 503.58 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperazine-1-carbonyl)indazol-6-yl]methanone is sourced from PubChem (CID 58522805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).